Geometry & MOs

Info

ID:	22104
PubChem CID:	596009
Reduced:	SF3N3O3H10C15 (1)
Stoich.:	AB3C3D3E10F15 (1)
Weight, g/mol:	369.039497
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	4.13
IP(EA), eV:	-8.85(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-benzimidazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations