Geometry & MOs

Info

ID:	338834
PubChem CID:	127259845
Reduced:	BrNOSH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	340.92768
ΔH_f, kcal/mol:	37.28
Dipole, Da:	4.0
IP(EA), eV:	-8.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(4-bromoanilino)-sulfanylmethylidene]-4-chlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C/C(=C(/NC2=CC=C(C=C2)Br)\S)/C(=O)C=C1

DOS

IR

Vibrations