Geometry & MOs

Info

ID:	184302
PubChem CID:	77142718
Reduced:	PN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	469.163156
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	11.05
IP(EA), eV:	-9.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-3-[[4,4,4-trifluoro-3-methyl-2-(4-methylphenyl)butanoyl]amino]phenyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)COP(=O)(O2)N3C(COC3=NC#N)CC4=CC=CC=C4

DOS

IR

Vibrations