Geometry & MOs

Info

ID:	338598
PubChem CID:	127259609
Reduced:	SO3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	318.98441
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	4.87
IP(EA), eV:	-10.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4-bromoanilino)methylidene]-5-hydroxy-4-oxocyclohexa-1,5-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)/C=C/C1=CC(=CC=C1)C=O

DOS

IR

Vibrations