Geometry & MOs

Info

ID:

334574

PubChem CID:

127253249

Reduced:

O3N4C25H34 (1)

Stoich.:

A3B4C25D34 (1)

Weight, g/mol:

538.232853

ΔHf, kcal/mol:

-130.02

Dipole, Da:

7.47

IP(EA), eV:

 -8.9(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[3-(1H-benzimidazol-2-yl)propyl]-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

C1CCN2CCC[C@H]([C@H]2C1)CNC(=O)CCCN3C(=O)[C@H]4CC5=CC=CC=C5CN4C3=O

DOS

IR

Vibrations