Geometry & MOs

Info

ID:

304961

PubChem CID:

124766362

Reduced:

N2O7C27H30 (1)

Stoich.:

A2B7C27D30 (1)

Weight, g/mol:

507.273321

ΔHf, kcal/mol:

-246.47

Dipole, Da:

7.84

IP(EA), eV:

 -8.71(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-3-(3-acetylphenyl)-2-N-tert-butyl-6-N-cyclohexyl-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=C(C=C3)OC)OC)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OCC

DOS

IR

Vibrations