Geometry & MOs

Info

ID:

301830

PubChem CID:

123097011

Reduced:

SN4O4C27H28 (1)

Stoich.:

AB4C4D27E28 (1)

Weight, g/mol:

486.193691

ΔHf, kcal/mol:

-15.5

Dipole, Da:

7.36

IP(EA), eV:

 -8.8(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[5-ethyl-4-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2OCC3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations