Geometry & MOs

Info

ID:	223560
PubChem CID:	85335233
Reduced:	ClO2N5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	430.097873
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	1.8
IP(EA), eV:	-8.23(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2CC(C(NC2=O)N)Cl)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations