Geometry & MOs

Info

ID:

191306

PubChem CID:

78128419

Reduced:

ClNO2C21H26 (1)

Stoich.:

ABC2D21E26 (1)

Weight, g/mol:

731.167984

ΔHf, kcal/mol:

-95.18

Dipole, Da:

4.18

IP(EA), eV:

 -9.31(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamidoethyl 2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC=C(C=C1)CNC23CC4CC(C2)CC(C4)(C3)Cl

DOS

IR

Vibrations