Geometry & MOs

Info

ID:	324919
PubChem CID:	126678632
Reduced:	NOC7H15 (1)
Stoich.:	ABC7D15 (1)
Weight, g/mol:	650.153479
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	2.37
IP(EA), eV:	-9.02(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy-[4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]methyl]imino-3-[5-methyl-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC([C@@H]1C(O1)C)NC

DOS

IR

Vibrations