Geometry & MOs

Info

ID:	24437
PubChem CID:	610286
Reduced:	SO2N7C15H17 (1)
Stoich.:	AB2C7D15E17 (1)
Weight, g/mol:	359.116444
ΔH_f, kcal/mol:	100.05
Dipole, Da:	9.04
IP(EA), eV:	-9.73(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations