Geometry & MOs

Info

ID:

301797

PubChem CID:

123095993

Reduced:

ClSN4O5C26H33 (1)

Stoich.:

ABC4D5E26F33 (1)

Weight, g/mol:

458.162391

ΔHf, kcal/mol:

-101.34

Dipole, Da:

10.76

IP(EA), eV:

 -8.98(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[4-[[(E)-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-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(C)C)OCC)SCC3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations