Geometry & MOs

Info

ID:	338829
PubChem CID:	127259840
Reduced:	NSO2F3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	245.05105
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	8.14
IP(EA), eV:	-9.51(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[anilino(sulfanyl)methylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)N/C(=C\2/C=CC(=O)C=C2O)/S

DOS

IR

Vibrations