Geometry & MOs

Info

ID:

225693

PubChem CID:

87225366

Reduced:

S2O5N6C24H26 (1)

Stoich.:

A2B5C6D24E26 (1)

Weight, g/mol:

566.158368

ΔHf, kcal/mol:

-99.54

Dipole, Da:

11.71

IP(EA), eV:

 -9.12(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations