Geometry & MOs

Info

ID:

301808

PubChem CID:

123096587

Reduced:

ClSN4O5C23H27 (1)

Stoich.:

ABC4D5E23F27 (1)

Weight, g/mol:

512.245727

ΔHf, kcal/mol:

-93.45

Dipole, Da:

6.5

IP(EA), eV:

 -9.0(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)Cl)OC(C)C

DOS

IR

Vibrations