Geometry & MOs

Info

ID:	320295
PubChem CID:	126659356
Reduced:	PN2O5C28H57 (1)
Stoich.:	AB2C5D28E57 (1)
Weight, g/mol:	481.18017
ΔH_f, kcal/mol:	-346.89
Dipole, Da:	2.3
IP(EA), eV:	-8.54(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[(4-cyanophenyl)methylcarbamoyl]-2-(4-fluorophenyl)quinolin-3-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](C)CCOC[C@H](COP(N(C(C)C)C(C)C)OCC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations