Geometry & MOs

Info

ID:	441461
PubChem CID:	135234947
Reduced:	P5O15C34H71 (1)
Stoich.:	A5B15C34D71 (1)
Weight, g/mol:	551.244742
ΔH_f, kcal/mol:	-1003.34
Dipole, Da:	1.87
IP(EA), eV:	-9.29(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-fluoro-4-[2-fluoro-4-[9-[3-fluoro-4-(4-fluorophenyl)phenoxy]nonoxy]phenyl]aniline

Drug info:

PubChemData

Smile

CCOP1(=O)C(CCC(C(P(=O)(O/C=C\O1)OCC)CCCCC(CCCC(C)P(=O)(OCC)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC)C

DOS

IR

Vibrations