Geometry & MOs

Info

ID:	313091
PubChem CID:	126611830
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	486.153718
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	8.17
IP(EA), eV:	-8.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxopyridin-3-yl)-2-methylbenzimidazol-4-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2N1CC3CC3)C4=CN(C(=O)C(=C4)OC)C)NS(=O)(=O)C

DOS

IR

Vibrations