Geometry & MOs

Info

ID:	47402
PubChem CID:	10532398
Reduced:	SN2O4H11C17F17 (1)
Stoich.:	AB2C4D11E17F17 (1)
Weight, g/mol:	662.215197
ΔH_f, kcal/mol:	-932.47
Dipole, Da:	6.2
IP(EA), eV:	-9.97(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3-bis[7-methoxy-3-(4-methoxyphenyl)-4-oxochromen-2-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(=O)NO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations