Geometry & MOs

Info

ID:	382475
PubChem CID:	134973667
Reduced:	NSO9C30H45 (1)
Stoich.:	ABC9D30E45 (1)
Weight, g/mol:	956.449948
ΔH_f, kcal/mol:	-317.02
Dipole, Da:	9.63
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-2-methyl-6-[2-methyl-3-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyphenoxy]-3,4,5-tris(phenylmethoxy)oxane

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

CCCCC12C(CC(N1C(=O)OC(C)(C)C)C(C(=O)C2CCOS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)C=O)OCOC

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

CCCCC12C(CC(N1C(=O)OC(C)(C)C)C(C(=O)C2CCOS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)C=O)OCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):