Geometry & MOs

Info

ID:

377919

PubChem CID:

134223985

Reduced:

N3H51C67 (1)

Stoich.:

A3B51C67 (1)

Weight, g/mol:

400.143234

ΔHf, kcal/mol:

261.94

Dipole, Da:

4.7

IP(EA), eV:

 -8.78(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-hexan-2-yloxy-2-methylphenyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3C4=CC(=CC(=C4)C5=CC=CC=C5C6=CC=C(C=C6)C7=CC=CC=N7)C8=CC=CC=C8C9=CC=C(C=C9)C1=CC=CC=N1)C1=CC=CC=C1

DOS

IR

Vibrations