Geometry & MOs

Info

ID:	237924
PubChem CID:	92722706
Reduced:	SN4O6C19H28 (1)
Stoich.:	AB4C6D19E28 (1)
Weight, g/mol:	444.123419
ΔH_f, kcal/mol:	-237.1
Dipole, Da:	6.27
IP(EA), eV:	-9.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@@]2(CN(CC(=O)N2C)S(=O)(=O)C)C

DOS

IR

Vibrations