Geometry & MOs

Info

ID:	341806
PubChem CID:	127264499
Reduced:	ON2F4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	426.131468
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	6.41
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]oxy-5,5-dimethyl-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)NC2=CC=CC(=C2)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations