Geometry & MOs

Info

ID:	441472
PubChem CID:	135235171
Reduced:	NF2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	620.224023
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	2.25
IP(EA), eV:	-9.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-(4-cyanophenyl)-3-fluorophenyl] 11-O-[4-(4-cyanophenyl)-3-phosphanylphenyl] undecanedioate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=C(C=C1)C2=CC(=C(C=C2)C=NC)F)F

DOS

IR

Vibrations