Geometry & MOs

Info

ID:	35375
PubChem CID:	7979782
Reduced:	ClN2O6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-140.26
Dipole, Da:	4.18
IP(EA), eV:	-9.42(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations