Geometry & MOs

Info

ID:	70156
PubChem CID:	47208177
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	319.999796
ΔH_f, kcal/mol:	1.99
Dipole, Da:	3.46
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations