Geometry & MOs

Info

ID:

304753

PubChem CID:

124766129

Reduced:

N3O4C29H37 (1)

Stoich.:

A3B4C29D37 (1)

Weight, g/mol:

486.226705

ΔHf, kcal/mol:

-139.57

Dipole, Da:

3.28

IP(EA), eV:

 -9.69(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC5CCCCC5)CC6=CC=CC=C6)O3

DOS

IR

Vibrations