Geometry & MOs

Info

ID:	441463
PubChem CID:	135235060
Reduced:	NO2F4H13C21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	663.216158
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	10.55
IP(EA), eV:	-9.71(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-(4-cyanophenyl)-3-fluorophenyl] 12-O-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl] dodecanedioate

Drug info:

PubChemData

Smile

C1CC(=CC(=C(C1F)C2=CC(=C(C(=C2)F)C#N)F)F)C3=CC=C(C=C3)OC=O

DOS

IR

Vibrations