Geometry & MOs

Info

ID:

225716

PubChem CID:

87225389

Reduced:

SO6N7H25C26 (1)

Stoich.:

AB6C7D25E26 (1)

Weight, g/mol:

628.158762

ΔHf, kcal/mol:

-146.08

Dipole, Da:

10.07

IP(EA), eV:

 -8.94(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxo-N-[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]cyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)C5=C(C=CC(=C5)S(=O)(=O)N)O)C(=O)N

DOS

IR

Vibrations