Geometry & MOs

Info

ID:

134931

PubChem CID:

51785069

Reduced:

ClN2O2C30H41 (1)

Stoich.:

AB2C2D30E41 (1)

Weight, g/mol:

510.264921

ΔHf, kcal/mol:

-98.66

Dipole, Da:

3.85

IP(EA), eV:

 -9.21(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)CC2=CC=CC=C2C

DOS

IR

Vibrations