Geometry & MOs

Info

ID:	424973
PubChem CID:	135124639
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	549.171829
ΔH_f, kcal/mol:	-72.92
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-4-[5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)CO)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations