Geometry & MOs

Info

ID:

301828

PubChem CID:

123097008

Reduced:

SN5O7C24H29 (1)

Stoich.:

AB5C7D24E29 (1)

Weight, g/mol:

503.147469

ΔHf, kcal/mol:

-103.0

Dipole, Da:

12.42

IP(EA), eV:

 -9.03(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(2,4-dimethoxy-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=C2OCC)OCC)[N+](=O)[O-])SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations