Geometry & MOs

Info

ID:	40971
PubChem CID:	8145041
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	7.4
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-6-nitro-1H-benzimidazole

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)OC)/C=N\NC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations