Geometry & MOs

Info

ID:	301799
PubChem CID:	123096041
Reduced:	ClSN4O5C21H23 (1)
Stoich.:	ABC4D5E21F23 (1)
Weight, g/mol:	466.063317
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	7.92
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)O)Cl)SCC3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations