Geometry & MOs

Info

ID:	122850
PubChem CID:	50824423
Reduced:	S2N3O4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	463.156577
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.89
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2NC(=O)C4=CC=CS4)N(C(=O)N3C)C

DOS

IR

Vibrations