Geometry & MOs

Info

ID:	127062
PubChem CID:	50989251
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	568.102016
ΔH_f, kcal/mol:	3.03
Dipole, Da:	1.79
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(S2)C(CCC3)N

DOS

IR

Vibrations