Geometry & MOs

Info

ID:	223675
PubChem CID:	85335405
Reduced:	ClFO3N6C23H26 (1)
Stoich.:	ABC3D6E23F26 (1)
Weight, g/mol:	484.108437
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	5.46
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,7a-dihydrobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC=C4)F)OCCCCl

DOS

IR

Vibrations