Geometry & MOs

Info

ID:	237890
PubChem CID:	92722501
Reduced:	ClSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-141.71
Dipole, Da:	8.7
IP(EA), eV:	-9.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations