Geometry & MOs

Info

ID:

225694

PubChem CID:

87225367

Reduced:

SN6O7C26H26 (1)

Stoich.:

AB6C7D26E26 (1)

Weight, g/mol:

595.184917

ΔHf, kcal/mol:

-202.42

Dipole, Da:

10.76

IP(EA), eV:

 -8.78(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-6-[[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-diene-1-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations