Geometry & MOs

Info

ID:	192591
PubChem CID:	78288263
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	472.203193
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	4.9
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxyphenyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC

DOS

IR

Vibrations