Geometry & MOs

Info

ID:	43871
PubChem CID:	10321910
Reduced:	SF2O3N4H20C22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	458.172939
ΔH_f, kcal/mol:	-132.41
Dipole, Da:	1.83
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(carboxymethyl)-1,4-bis(phenylmethoxy)-4a,8a-dihydronaphthalen-2-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(CN(C1=O)CC3=CC(=C(C=C3)F)F)C=C(S2)C(=O)NCC4=CC(=NC=C4)OC

DOS

IR

Vibrations