Geometry & MOs

Info

ID:	144532
PubChem CID:	53382796
Reduced:	ClSN2O6C18H25 (1)
Stoich.:	ABC2D6E18F25 (1)
Weight, g/mol:	489.193357
ΔH_f, kcal/mol:	-240.72
Dipole, Da:	9.62
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2S(=O)(=O)C3=CC=CC=C3Cl)O

DOS

IR

Vibrations