Geometry & MOs

Info

ID:

225663

PubChem CID:

87225336

Reduced:

SN6O7H24C26 (1)

Stoich.:

AB6C7D24E26 (1)

Weight, g/mol:

617.223411

ΔHf, kcal/mol:

-188.3

Dipole, Da:

10.0

IP(EA), eV:

 -9.02(-1.97)

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]-(carboxymethyl)amino]acetic acid

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)O

DOS

IR

Vibrations