Geometry & MOs

Info

ID:	425054
PubChem CID:	135124990
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	501.195151
ΔH_f, kcal/mol:	-140.59
Dipole, Da:	4.23
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(1R)-7-fluoro-4-[5-[(3R)-oxolan-3-yl]oxypyridin-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)O

DOS

IR

Vibrations