Geometry & MOs

Info

ID:	178523
PubChem CID:	76341660
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	5.0
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations