Geometry & MOs

Info

ID:	122846
PubChem CID:	50824125
Reduced:	SF3N3O4H16C22 (1)
Stoich.:	AB3C3D4E16F22 (1)
Weight, g/mol:	491.172621
ΔH_f, kcal/mol:	-223.95
Dipole, Da:	3.33
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)NC(=O)C3=C(C=CC=C3F)F)S(=O)(=O)C4=CC=C(C=C4)F)N(C1=O)C

DOS

IR

Vibrations