Geometry & MOs

Info

ID:	237863
PubChem CID:	92722282
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	461.162057
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	3.57
IP(EA), eV:	-9.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-1-(2,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations