Geometry & MOs

Info

ID:	425004
PubChem CID:	135124803
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	549.171829
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	2.75
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(1R)-4-[5-chloro-6-(oxan-4-yloxy)pyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=C(N5C(=CC=N5)C=C4)C

DOS

IR

Vibrations