Geometry & MOs

Info

ID:

389036

PubChem CID:

134990944

Reduced:

NO2C22H27 (1)

Stoich.:

AB2C22D27 (1)

Weight, g/mol:

2147.253976

ΔHf, kcal/mol:

-60.37

Dipole, Da:

3.38

IP(EA), eV:

-8.5(0.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

heptasodium;3-[3-azido-4,5-bis(phenylmethoxy)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[5-azido-6-[2-carboxylato-6-[6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-5-sulfonatooxyoxan-3-yl]oxy-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@@H]3C4=CCCC[C@@]42CCN3C(=O)C5CCC5)C=C1

DOS

IR

Vibrations