Geometry & MOs

Info

ID:	378059
PubChem CID:	134224128
Reduced:	ClINC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	400.143234
ΔH_f, kcal/mol:	28.16
Dipole, Da:	4.05
IP(EA), eV:	-9.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(2-methyl-3-pentan-2-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(N=C1)Cl)I

DOS

IR

Vibrations