Geometry & MOs

Info

ID:

191259

PubChem CID:

78123941

Reduced:

SN18O19C80H132 (1)

Stoich.:

AB18C19D80E132 (1)

Weight, g/mol:

518.234763

ΔHf, kcal/mol:

-919.88

Dipole, Da:

14.6

IP(EA), eV:

 -8.24(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-chloro-2-fluorophenyl)-6-[(4,4-dimethylcyclohexyl)carbamoyl]-2,5-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1(CCCC=CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCSC)CC2=CNC3=CC=CC=C32)(C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)N)C

DOS

IR

Vibrations