Geometry & MOs

Info

ID:

44433

PubChem CID:

10503566

Reduced:

N2S2O4C21H38 (1)

Stoich.:

A2B2C4D21E38 (1)

Weight, g/mol:

446.158164

ΔHf, kcal/mol:

-138.42

Dipole, Da:

8.48

IP(EA), eV:

 -8.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R)-6-benzyl-15-chloro-3-methyl-4,7-dioxo-2,5,8,12,14,16,17-heptazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)/C=C(/[N+](=O)[O-])\S[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(=O)(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations