Geometry & MOs

Info

ID:	60379
PubChem CID:	26683951
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	6.55
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-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=C(C=CC(=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations