Geometry & MOs

Info

ID:	58172
PubChem CID:	24429259
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	474.161329
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	7.67
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

DOS

IR

Vibrations