Geometry & MOs

Info

ID:	237861
PubChem CID:	92722234
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	6.01
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-(3-ethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)CN(C[C@]1(C)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations