Geometry & MOs

Info

ID:

298411

PubChem CID:

117649341

Reduced:

N3H33C52 (1)

Stoich.:

A3B33C52 (1)

Weight, g/mol:

557.367616

ΔHf, kcal/mol:

238.46

Dipole, Da:

1.97

IP(EA), eV:

 -7.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-methyl-N'-(2,3,4,5,6-pentahydroxyhexyl)-N-prop-2-ynyl-2-(tridecanoylamino)pentanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=CC1=CC=CC=C19)C1=CC=CC=C12

DOS

IR

Vibrations