Geometry & MOs

Info

ID:	309860
PubChem CID:	126562853
Reduced:	F2O5N7C25H31 (1)
Stoich.:	A2B5C7D25E31 (1)
Weight, g/mol:	443.222035
ΔH_f, kcal/mol:	-177.59
Dipole, Da:	3.5
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[6-(3-methoxyiminoazetidin-1-yl)-5-[2-(oxan-2-yloxy)propan-2-yl]pyridin-3-yl]phenyl]methanol

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC(CON=C2CN(C2)C3=NC=C(C=N3)C4=CC=CC(=C4F)COC(=O)N=C(N)N)CF

DOS

IR

Vibrations