Geometry & MOs

Info

ID:	438690
PubChem CID:	135228441
Reduced:	IO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	5.17
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dihydroxy-3-(hydroxymethyl)-5-propan-2-ylphenyl]-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)OC2=C(C=C(C=C2C)C[C@H](C)C(=O)O)C)I)O

DOS

IR

Vibrations