Geometry & MOs

Info

ID:

221540

PubChem CID:

85279285

Reduced:

N9O11C49H75 (1)

Stoich.:

A9B11C49D75 (1)

Weight, g/mol:

917.223456

ΔHf, kcal/mol:

-541.31

Dipole, Da:

12.51

IP(EA), eV:

 -9.18(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-acetamido-2,5-bis(phenylmethoxy)-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-bis(phenylmethoxy)-5-sulfooxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)NC(=O)CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CN

DOS

IR

Vibrations