Geometry & MOs

Info

ID:	165174
PubChem CID:	74511468
Reduced:	SF2N3O7C21H21 (1)
Stoich.:	AB2C3D7E21F21 (1)
Weight, g/mol:	356.10062
ΔH_f, kcal/mol:	-239.59
Dipole, Da:	5.24
IP(EA), eV:	-9.26(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]hexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations