Geometry & MOs

Info

ID:	376202
PubChem CID:	134222209
Reduced:	OCl3F3H12C18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	526.019562
ΔH_f, kcal/mol:	-163.03
Dipole, Da:	2.25
IP(EA), eV:	-9.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-fluorophenyl]-3-(1,1-dioxothietan-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)C=O

DOS

IR

Vibrations