Geometry & MOs

Info

ID:	237866
PubChem CID:	92722332
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-197.19
Dipole, Da:	5.81
IP(EA), eV:	-9.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1CCCOC)S(=O)(=O)C)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations