Geometry & MOs

Info

ID:

225697

PubChem CID:

87225370

Reduced:

SO6N7H23C24 (1)

Stoich.:

AB6C7D23E24 (1)

Weight, g/mol:

373.153875

ΔHf, kcal/mol:

-148.93

Dipole, Da:

11.58

IP(EA), eV:

 -8.71(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-[5-(aminomethyl)-2-hydroxyphenyl]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NCCC(=O)N)/N2

DOS

IR

Vibrations