Geometry & MOs

Info

ID:	170203
PubChem CID:	75206730
Reduced:	SF2N2O4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	468.067734
ΔH_f, kcal/mol:	-175.98
Dipole, Da:	7.28
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations