Geometry & MOs

Info

ID:	373288
PubChem CID:	131312706
Reduced:	FOSH4C5 (2)
Stoich.:	ABCD4E5 (2)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-145.84
Dipole, Da:	2.12
IP(EA), eV:	-8.56(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3,4-dimethoxy-2-methylbenzoyl cyanide

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C=C1)C(=CS2)O)OC(F)F

DOS

IR

Vibrations