Geometry & MOs

Info

ID:	237875
PubChem CID:	92722464
Reduced:	ClSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	8.82
IP(EA), eV:	-9.49(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethylphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@@]2(CN(CC(=O)N2C3=CC(=CC=C3)Cl)S(=O)(=O)C)C

DOS

IR

Vibrations