Geometry & MOs

Info

ID:	401874
PubChem CID:	135053150
Reduced:	NO3H11C17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	7.64
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-2-sulfanylchromen-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(C(=O)C3=CC=CC=C3O2)C#N

DOS

IR

Vibrations