Geometry & MOs

Info

ID:

85044

PubChem CID:

49871444

Reduced:

N2O5C25H32 (1)

Stoich.:

A2B5C25D32 (1)

Weight, g/mol:

727.290349

ΔHf, kcal/mol:

-163.36

Dipole, Da:

5.67

IP(EA), eV:

 -8.43(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2R)-2-[tert-butylcarbamoyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC(=C(C=C2[C@H](O1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)OC)OC

DOS

IR

Vibrations