Geometry & MOs

Info

ID:

127931

PubChem CID:

51023356

Reduced:

O4H9C14 (2)

Stoich.:

A4B9C14 (2)

Weight, g/mol:

621.38495

ΔHf, kcal/mol:

-234.38

Dipole, Da:

2.61

IP(EA), eV:

 -9.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R,3S)-3-hydroxy-5-oxo-1-phenyl-5-[(1S,2S,4S)-1,7,7-trimethyl-2-trimethylsilyloxy-2-bicyclo[2.2.1]heptanyl]pentan-2-yl]-N,3-dimethyl-2-phenylmethoxybutanamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3C[C@@H]4C25C(=C(C6=C(C5=O)C=CC=C6O)O)C(=O)[C@@H]1C37C(=C(C8=C(C7=O)C=CC=C8O)O)C4=O

DOS

IR

Vibrations