Geometry & MOs

Info

ID:	237858
PubChem CID:	92722074
Reduced:	ClSN3O4C21H30 (1)
Stoich.:	ABC3D4E21F30 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-181.62
Dipole, Da:	6.85
IP(EA), eV:	-9.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(benzenesulfonyl)-2-methyl-N-(3-methylbutyl)-1-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1CC2=CC=C(C=C2)Cl)S(=O)(=O)C)C(=O)NC3CCCCCC3

DOS

IR

Vibrations