Geometry & MOs

Info

ID:	376219
PubChem CID:	134222229
Reduced:	SCl2F4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	451.082988
ΔH_f, kcal/mol:	-174.9
Dipole, Da:	5.79
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-[ethenyl-(propan-2-ylideneamino)amino]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations