Geometry & MOs

Info

ID:	165448
PubChem CID:	74551890
Reduced:	N2C13H25 (1)
Stoich.:	A2B13C25 (1)
Weight, g/mol:	440.029422
ΔH_f, kcal/mol:	27.34
Dipole, Da:	1.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752607
Charge, e:	-1

Chem-info

IUPAC name:

5-[[1-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CN1CCC[NH+](CC1)CC2CCC=CC2

DOS

IR

Vibrations