Geometry & MOs

Info

ID:	376200
PubChem CID:	134222207
Reduced:	NSCl2F3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	342.079841
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	3.2
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-methyl-5-[(E)-1,1,1-trifluoro-4-(3-fluoro-4-methylphenyl)but-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(/C=C/C2=CC3=C(C=C2)C(CC3)NC=S)C(F)(F)F

DOS

IR

Vibrations