Geometry & MOs

Info

ID:	178189
PubChem CID:	76291690
Reduced:	SO3N6C19H30 (1)
Stoich.:	AB3C6D19E30 (1)
Weight, g/mol:	457.086305
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	6.56
IP(EA), eV:	-9.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-chlorophenyl)methyl]-6-oxopyridin-3-yl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2C(C(CC(N2)C(C)C)C(=O)NC3=NN=C(S3)C(C)(C)C)C(=O)NC1=O

DOS

IR

Vibrations