Geometry & MOs

Info

ID:

304751

PubChem CID:

124766127

Reduced:

N3O4C29H37 (1)

Stoich.:

A3B4C29D37 (1)

Weight, g/mol:

491.278407

ΔHf, kcal/mol:

-140.04

Dipole, Da:

7.71

IP(EA), eV:

 -9.53(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5R,6S,7R)-3-benzyl-2-N,6-N-dicyclohexyl-4-oxo-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