Geometry & MOs

Info

ID:	31053
PubChem CID:	854315
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	344.045151
ΔH_f, kcal/mol:	55.34
Dipole, Da:	1.89
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=CSC3=N

DOS

IR

Vibrations