Geometry & MOs

Info

ID:

301817

PubChem CID:

123096755

Reduced:

SN5O7C25H31 (1)

Stoich.:

AB5C7D25E31 (1)

Weight, g/mol:

506.139069

ΔHf, kcal/mol:

-90.52

Dipole, Da:

12.88

IP(EA), eV:

 -9.07(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1OC)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C)[N+](=O)[O-]

DOS

IR

Vibrations