Geometry & MOs

Info

ID:	133669
PubChem CID:	51572034
Reduced:	N5O5C21H27 (1)
Stoich.:	A5B5C21D27 (1)
Weight, g/mol:	440.029422
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	4.12
IP(EA), eV:	-9.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations