Geometry & MOs

Info

ID:	401473
PubChem CID:	135051366
Reduced:	OPH19C26 (1)
Stoich.:	ABC19D26 (1)
Weight, g/mol:	304.092186
ΔH_f, kcal/mol:	59.39
Dipole, Da:	4.88
IP(EA), eV:	-8.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-2H-benzo[f]isothiochromene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(P2(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations