Geometry & MOs

Info

ID:	55431
PubChem CID:	17395391
Reduced:	ClSN2O3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	342.080491
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	4.36
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations