Geometry & MOs

Info

ID:	373599
PubChem CID:	131317685
Reduced:	ClNO2F3H3S3C8 (1)
Stoich.:	ABC2D3E3F3G8 (1)
Weight, g/mol:	283.963411
ΔH_f, kcal/mol:	-177.06
Dipole, Da:	4.74
IP(EA), eV:	-9.93(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-1H-benzimidazole-4-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1S)C#N)S(=O)(=O)Cl)SC(F)(F)F

DOS

IR

Vibrations