Geometry & MOs

Info

ID:	223443
PubChem CID:	85335050
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	356.057926
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	8.63
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(N=NC(=O)C2C1)C3=CC(=CC=C3)NC(=O)CCNCCN

DOS

IR

Vibrations