Geometry & MOs

Info

ID:

222119

PubChem CID:

85294457

Reduced:

O9C45H56 (1)

Stoich.:

A9B45C56 (1)

Weight, g/mol:

741.326145

ΔHf, kcal/mol:

-343.96

Dipole, Da:

5.22

IP(EA), eV:

 -9.24(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-phenyl-3-[[2,3,4,6-tetrahydroxy-5-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1CCC2(CC(CC(O2)CC=C(C)CC(C)C=CC=C3COC4C3(C(CC(C4OC(=O)C5=CC=CC=C5)C)C=O)O)OC(=O)C6=CC=CC=C6)OC1C

DOS

IR

Vibrations