Geometry & MOs

Info

ID:	66250
PubChem CID:	46501019
Reduced:	SN3O10C21H23 (1)
Stoich.:	AB3C10D21E23 (1)
Weight, g/mol:	421.942587
ΔH_f, kcal/mol:	-244.67
Dipole, Da:	4.88
IP(EA), eV:	-9.42(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations