Geometry & MOs

Info

ID:

184591

PubChem CID:

77180256

Reduced:

SN4O4C34H40 (1)

Stoich.:

AB4C4D34E40 (1)

Weight, g/mol:

529.067063

ΔHf, kcal/mol:

-78.36

Dipole, Da:

6.38

IP(EA), eV:

 -9.25(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-chloro-4-[4-chloro-3-[4,4,4-trifluoro-3-hydroxy-3-(2-methyl-6-oxo-3H-pyridin-3-yl)butan-2-yl]phenoxy]benzoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC=CC(C2)(C(CC3=CC=CC=C3)C(C4CC(CN4)OCC5=CC=CC=C5)O)C(=O)N

DOS

IR

Vibrations