Geometry & MOs

Info

ID:	144533
PubChem CID:	53383088
Reduced:	SN3O6C24H31 (1)
Stoich.:	AB3C6D24E31 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-212.62
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-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=C(C=CC(=C3)OC)OC)S(=O)(=O)C)C

DOS

IR

Vibrations