Geometry & MOs

Info

ID:	237880
PubChem CID:	92722487
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	433.147156
ΔH_f, kcal/mol:	-169.67
Dipole, Da:	8.5
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-fluorophenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@]2(CN(CC(=O)N2C3=CC(=CC=C3)F)S(=O)(=O)C)C

DOS

IR

Vibrations