Geometry & MOs

Info

ID:	394068
PubChem CID:	135022285
Reduced:	BrSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	-6.02
Dipole, Da:	1.06
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7-dimethoxy-4-(thiophen-2-ylmethylidene)-1H-isochromene

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)COCC#CC2=CC=CS2)Br)OC

DOS

IR

Vibrations