Geometry & MOs

Info

ID:	237914
PubChem CID:	92722572
Reduced:	ClSN3O4C21H30 (1)
Stoich.:	ABC3D4E21F30 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-179.87
Dipole, Da:	7.35
IP(EA), eV:	-9.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-(2-phenylethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1C2CCCCCC2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations