Geometry & MOs

Info

ID:

301827

PubChem CID:

123097007

Reduced:

ClSN4O5C28H29 (1)

Stoich.:

ABC4D5E28F29 (1)

Weight, g/mol:

531.178769

ΔHf, kcal/mol:

-59.86

Dipole, Da:

7.6

IP(EA), eV:

 -9.03(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)OC)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations