Geometry & MOs

Info

ID:	161331
PubChem CID:	57391360
Reduced:	ClOF2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	425.989059
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	5.39
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[6-(4-methylphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=C(C=C(C=C2)F)F)C(=O)C3=CC=CN4C3=NC(=C4)Cl

DOS

IR

Vibrations