Geometry & MOs

Info

ID:	60372
PubChem CID:	26683938
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-139.71
Dipole, Da:	3.6
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-4-oxo-N-[(1S)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations