Geometry & MOs

Info

ID:	413203
PubChem CID:	135086149
Reduced:	NSO4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	343.95456
ΔH_f, kcal/mol:	10.09
Dipole, Da:	6.01
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-iodo-4-methyl-2-oxochromen-6-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C#CC2=COC=C2)C#CC3=COC=C3

DOS

IR

Vibrations