Geometry & MOs

Info

ID:

225722

PubChem CID:

87225395

Reduced:

S3O7C32H36 (1)

Stoich.:

A3B7C32D36 (1)

Weight, g/mol:

717.207714

ΔHf, kcal/mol:

-255.65

Dipole, Da:

3.51

IP(EA), eV:

 -9.13(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-[(carbamoylamino)methyl]-2-hydroxyphenyl]-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoyl]-(2-phosphonoethyl)amino]ethylphosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)OCC(CO)(COC(=O)CC(C2=CC=CC=C2)S)COC(=O)CC(C3=CC=CC=C3)S)S

DOS

IR

Vibrations