Geometry & MOs

Info

ID:	309836
PubChem CID:	126561687
Reduced:	PN5O6C31H56 (1)
Stoich.:	AB5C6D31E56 (1)
Weight, g/mol:	564.238413
ΔH_f, kcal/mol:	-364.54
Dipole, Da:	3.01
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]azetidin-3-ylidene]amino]oxymethyl]-3-(oxan-2-yloxy)propyl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@H](C)CN1C=C(C2=C(N=C(N=C21)C)N)C(=O)N)O

DOS

IR

Vibrations