Geometry & MOs

Info

ID:	437188
PubChem CID:	135215616
Reduced:	FS2O3N6C17H17 (1)
Stoich.:	AB2C3D6E17F17 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	2.7
IP(EA), eV:	-9.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1-methylcyclopropyl)-2-oxo-1-(piperidin-4-ylmethyl)benzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=NSC(=N1)N2C3=C(C=CC(=C3)S(=O)(=O)NC(CF)C4CC4)N(C2=O)CC#N

DOS

IR

Vibrations