Geometry & MOs

Info

ID:	60377
PubChem CID:	26683949
Reduced:	FSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	461.178456
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	6.82
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)F

DOS

IR

Vibrations