Geometry & MOs

Info

ID:	135568
PubChem CID:	51894467
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	432.11775
ΔH_f, kcal/mol:	-162.09
Dipole, Da:	9.24
IP(EA), eV:	-9.08(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations