Geometry & MOs

Info

ID:	178733
PubChem CID:	76372960
Reduced:	F2O3N5H21C24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	467.145676
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	1.97
IP(EA), eV:	-9.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-difluorophenyl)-5-fluoro-N-[4-(7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl)pyridin-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C=C1C(CC(OC12CC2)C3=C(C=NC=C3)NC(=O)C4=NC(=NC=C4N)C5=C(C=CC=C5F)F)O

DOS

IR

Vibrations