Geometry & MOs

Info

ID:

191080

PubChem CID:

78102322

Reduced:

SO3N4C24H34 (1)

Stoich.:

AB3C4D24E34 (1)

Weight, g/mol:

472.187733

ΔHf, kcal/mol:

-93.95

Dipole, Da:

8.09

IP(EA), eV:

 -9.31(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[(4-aminopiperidin-1-yl)methyl]-14-methyl-4,6-dioxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),12,15,17-pentaene-5-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)CC(C#N)NC(=O)C3C4CCC(C4)N3

DOS

IR

Vibrations