Geometry & MOs

Info

ID:	195609
PubChem CID:	78711154
Reduced:	NSC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	70.44
Dipole, Da:	4.34
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)N2CCC3=C(C2C4CC4)C=CS3

DOS

IR

Vibrations