Geometry & MOs

Info

ID:

334611

PubChem CID:

127253286

Reduced:

N4O6C33H40 (1)

Stoich.:

A4B6C33D40 (1)

Weight, g/mol:

524.217203

ΔHf, kcal/mol:

-166.07

Dipole, Da:

2.67

IP(EA), eV:

 -8.71(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=CC(=N1)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations