Geometry & MOs

Info

ID:

225733

PubChem CID:

87225406

Reduced:

SO6H8C13F18 (1)

Stoich.:

AB6C8D13E18 (1)

Weight, g/mol:

555.15764

ΔHf, kcal/mol:

-1152.84

Dipole, Da:

1.91

IP(EA), eV:

 -12.01(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxyphenyl)-4-oxocyclohexa-1,5-dien-1-yl]sulfonyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1C(COS(=O)(=O)O1)(C(C(F)(F)F)(C(F)(F)F)OCC(F)(F)F)C(C(F)(F)F)(C(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations