Geometry & MOs

Info

ID:	35458
PubChem CID:	7979903
Reduced:	ClSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	3.83
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations