Geometry & MOs

Info

ID:

225686

PubChem CID:

87225359

Reduced:

SN6O7C25H26 (1)

Stoich.:

AB6C7D25E26 (1)

Weight, g/mol:

660.338381

ΔHf, kcal/mol:

-197.99

Dipole, Da:

11.02

IP(EA), eV:

 -8.6(-1.7)

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,2-dimethyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC(CO)CO)/N2

DOS

IR

Vibrations