Geometry & MOs

Info

ID:

128252

PubChem CID:

51036879

Reduced:

ClFN5H17C23 (1)

Stoich.:

ABC5D17E23 (1)

Weight, g/mol:

795.490805

ΔHf, kcal/mol:

89.56

Dipole, Da:

7.63

IP(EA), eV:

 -8.72(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[N-methyl-2-[(3Z,5E)-2-methyl-6-(1,3,3-trimethylindol-1-ium-2-yl)hexa-3,5-dien-2-yl]anilino]-N-[2-[2-[2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethoxy]ethoxy]ethyl]pentanamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C2=NC=CN=C2)C3=CC4=C(C=C3)NC(=C4)C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations