Geometry & MOs

Info

ID:

301796

PubChem CID:

123095990

Reduced:

ClSN4O5C24H29 (1)

Stoich.:

ABC4D5E24F29 (1)

Weight, g/mol:

548.186019

ΔHf, kcal/mol:

-96.31

Dipole, Da:

3.71

IP(EA), eV:

 -8.7(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations