Geometry & MOs

Info

ID:

225700

PubChem CID:

87225373

Reduced:

FNO2C11H24 (1)

Stoich.:

ABC2D11E24 (1)

Weight, g/mol:

609.210083

ΔHf, kcal/mol:

-153.5

Dipole, Da:

2.54

IP(EA), eV:

-8.91(1.0)

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]amino]ethylphosphonic acid

Drug info:

PubChemData

Smile

CCNCC.CC(=C)COCC(CF)O

DOS

IR

Vibrations