Geometry & MOs

Info

ID:	60376
PubChem CID:	26683948
Reduced:	SN3O4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	461.178456
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	5.12
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-fluoro-4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations