Geometry & MOs

Info

ID:	132552
PubChem CID:	51377985
Reduced:	FSN2O5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	361.060666
ΔH_f, kcal/mol:	-171.78
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995106
Charge, e:	-1

Chem-info

IUPAC name:

(1,3-dimethyl-2-oxobenzimidazol-5-yl)-(4-nitrophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N-]S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations