Geometry & MOs

Info

ID:	376136
PubChem CID:	134222139
Reduced:	NSCl2O2F4H19C22 (1)
Stoich.:	ABC2D2E4F19G22 (1)
Weight, g/mol:	362.025218
ΔH_f, kcal/mol:	-222.02
Dipole, Da:	2.21
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CS1(=N)=O)CCC(=O)C2=C(C=C(C=C2)/C=C/C(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)F

DOS

IR

Vibrations