Geometry & MOs

Info

ID:	237865
PubChem CID:	92722295
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-197.09
Dipole, Da:	7.44
IP(EA), eV:	-9.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-1-(3-methoxypropyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations