Geometry & MOs

Info

ID:	237915
PubChem CID:	92722601
Reduced:	ClSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	463.133255
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	3.63
IP(EA), eV:	-9.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN(CC(=O)N1CCC2=CC=CC=C2)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations