Geometry & MOs

Info

ID:	60371
PubChem CID:	26683937
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	8.61
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(2S)-2-phenylbutyl]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