Geometry & MOs

Info

ID:	424950
PubChem CID:	135124555
Reduced:	S2N4O5C27H36 (1)
Stoich.:	A2B4C5D27E36 (1)
Weight, g/mol:	487.179501
ΔH_f, kcal/mol:	-140.58
Dipole, Da:	9.07
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(1R)-7-fluoro-4-[6-(oxetan-3-yloxy)pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(SC(=C3)[C@@H](CCC4=CN(N=N4)CC)C(C)(C)C(=O)O)C

DOS

IR

Vibrations