Geometry & MOs

Info

ID:

301809

PubChem CID:

123096724

Reduced:

SN4O4C27H36 (1)

Stoich.:

AB4C4D27E36 (1)

Weight, g/mol:

560.222405

ΔHf, kcal/mol:

-71.45

Dipole, Da:

7.51

IP(EA), eV:

 -9.29(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1NC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations