Geometry & MOs

Info

ID:	233951
PubChem CID:	92297412
Reduced:	SO4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	294.089209
ΔH_f, kcal/mol:	-187.73
Dipole, Da:	1.47
IP(EA), eV:	-7.98(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-oxo-2-phenylchromen-8-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C(=CC=C1)C(C)(C)O)SC2=C(C=CC=C2C(C)(C)O)C(C)(C)O)O

DOS

IR

Vibrations