Geometry & MOs

Info

ID:	394728
PubChem CID:	135023654
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	846.392899
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	4.87
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol

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]1[C@]2(C=C3N1C(=O)C4CCCN4C3=O)C5=C(C=CC(=C5)OC)NC2=O)C

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]1[C@]2(C=C3N1C(=O)C4CCCN4C3=O)C5=C(C=CC(=C5)OC)NC2=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):