Geometry & MOs

Info

ID:

334470

PubChem CID:

127253022

Reduced:

N3O4H21C24 (1)

Stoich.:

A3B4C21D24 (1)

Weight, g/mol:

524.217203

ΔHf, kcal/mol:

-36.04

Dipole, Da:

3.66

IP(EA), eV:

 -8.41(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[2-(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

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CC=N5)OC

DOS

IR

Vibrations