Geometry & MOs

Info

ID:	144536
PubChem CID:	53383091
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	489.193357
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	3.4
IP(EA), eV:	-8.87(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2(CN(CC(=O)N2CC3=CC=CS3)S(=O)(=O)C)C

DOS

IR

Vibrations