Geometry & MOs

Info

ID:	159825
PubChem CID:	57288792
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	590.178812
ΔH_f, kcal/mol:	78.81
Dipole, Da:	2.38
IP(EA), eV:	-7.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1,3-dioxol-4-yl-[2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]-(4-methylphenyl)methyl]-2,6-dimethoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NNC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations