Geometry & MOs

Info

ID:

314102

PubChem CID:

126620401

Reduced:

S2O5N9H21C24 (1)

Stoich.:

A2B5C9D21E24 (1)

Weight, g/mol:

392.116778

ΔHf, kcal/mol:

-8.9

Dipole, Da:

10.54

IP(EA), eV:

 -9.26(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-N-methyl-6-prop-2-enylidene-2-[5-[3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]cyclohexa-2,4-dien-1-imine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=NC=C(C=C2)C3=NC(=NN3)SCC(=O)O)CCC4=C(C=NN4)C5=NC(=NN5)SCC(=O)O

DOS

IR

Vibrations