Geometry & MOs

Info

ID:

134787

PubChem CID:

51755533

Reduced:

N2O3C27H44 (1)

Stoich.:

A2B3C27D44 (1)

Weight, g/mol:

522.277984

ΔHf, kcal/mol:

-147.7

Dipole, Da:

3.23

IP(EA), eV:

 -9.35(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-N-[(1S)-2-(tert-butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-hexyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=CO1)C(=O)NCCCC)C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C

DOS

IR

Vibrations