Geometry & MOs

Info

ID:

225652

PubChem CID:

87219176

Reduced:

NaSO5C6H9 (1)

Stoich.:

ABC5D6E9 (1)

Weight, g/mol:

605.259796

ΔHf, kcal/mol:

-252.02

Dipole, Da:

9.76

IP(EA), eV:

 -9.74(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-[(carbamoylamino)methyl]-2-hydroxyphenyl]-4-oxocyclohexa-1,5-dien-1-yl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(/C=C(\C)/C(=O)[O-])S(=O)(=O)O.[Na+]

DOS

IR

Vibrations