Geometry & MOs

Info

ID:	237892
PubChem CID:	92722503
Reduced:	ClSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-143.27
Dipole, Da:	6.47
IP(EA), eV:	-9.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-chloro-4-methylphenyl)-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(=C(C=C3)C)Cl)S(=O)(=O)C)C

DOS

IR

Vibrations