Geometry & MOs

Info

ID:

134454

PubChem CID:

51699243

Reduced:

O2S2N4C24H29 (1)

Stoich.:

A2B2C4D24E29 (1)

Weight, g/mol:

468.165369

ΔHf, kcal/mol:

-15.98

Dipole, Da:

6.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.092530

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-8,10-dithia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3-triene-6,12-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](CN2C=NC3=C(C2=O)SC4=C3NC(=O)CS4)[NH+]5CCCCC5

DOS

IR

Vibrations