Geometry & MOs

Info

ID:	21103
PubChem CID:	587200
Reduced:	ClOSF3H12C20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	392.024948
ΔH_f, kcal/mol:	-115.56
Dipole, Da:	3.62
IP(EA), eV:	-9.53(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=C2)C=CC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations