Geometry & MOs

Info

ID:	143646
PubChem CID:	53242114
Reduced:	FN6O6C36H47 (1)
Stoich.:	AB6C6D36E47 (1)
Weight, g/mol:	1118.461285
ΔH_f, kcal/mol:	-274.01
Dipole, Da:	5.71
IP(EA), eV:	-8.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5R,6R)-5-[[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)NCC(=O)NCC1=CC(=C(C=C1)F)C2CCN(CC2)C(=O)C3=CN(C4=CC=CC(=C43)C(=O)N5CCOCC5)CCOC)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)NCC(=O)NCC1=CC(=C(C=C1)F)C2CCN(CC2)C(=O)C3=CN(C4=CC=CC(=C43)C(=O)N5CCOCC5)CCOC)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):