Geometry & MOs

Info

ID:	60378
PubChem CID:	26683950
Reduced:	FSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-192.14
Dipole, Da:	5.77
IP(EA), eV:	-9.03(-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-[(2R)-2-phenylbutyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations