Geometry & MOs

Info

ID:	243001
PubChem CID:	99214977
Reduced:	NSO2F3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	452.158135
ΔH_f, kcal/mol:	-220.64
Dipole, Da:	8.06
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CC2=CC=C(S2)C

DOS

IR

Vibrations