Geometry & MOs

Info

ID:	443633
PubChem CID:	135259609
Reduced:	ClO3H11C19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	360.099774
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	4.89
IP(EA), eV:	-9.23(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-(2-oxochromen-4-yl)furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=O)O2)C3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations