Geometry & MOs

Info

ID:	192592
PubChem CID:	78288296
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	3.76
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=C(C(=CC=C3)OC)OC)C)C

DOS

IR

Vibrations