Geometry & MOs

Info

ID:	178557
PubChem CID:	76348492
Reduced:	SCl2N4O4C21H24 (1)
Stoich.:	AB2C4D4E21F24 (1)
Weight, g/mol:	473.171749
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	5.41
IP(EA), eV:	-8.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)N1CCN(CC1)C2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations