Geometry & MOs

Info

ID:	237864
PubChem CID:	92722294
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	461.162057
ΔH_f, kcal/mol:	-197.56
Dipole, Da:	7.17
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-(3,5-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations