Geometry & MOs

Info

ID:	61859
PubChem CID:	26714377
Reduced:	SCl2N2O4H12C15 (1)
Stoich.:	AB2C2D4E12F15 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	5.06
IP(EA), eV:	-10.01(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations