Geometry & MOs

Info

ID:

225676

PubChem CID:

87225349

Reduced:

SN6O9C28H28 (1)

Stoich.:

AB6C9D28E28 (1)

Weight, g/mol:

585.143053

ΔHf, kcal/mol:

-284.57

Dipole, Da:

12.54

IP(EA), eV:

 -8.8(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations