Geometry & MOs

Info

ID:	26785
PubChem CID:	798352
Reduced:	SO3N4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	262.084124
ΔH_f, kcal/mol:	0.93
Dipole, Da:	9.42
IP(EA), eV:	-8.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N)C

DOS

IR

Vibrations