Geometry & MOs

Info

ID:

134373

PubChem CID:

51687430

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

429.262757

ΔHf, kcal/mol:

-90.05

Dipole, Da:

2.12

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@H]2[C@H]3C=C[C@@]4([C@@H]2C(=O)N([C@@H]4C(=O)NC5CCCC5)C6CC6)O3

DOS

IR

Vibrations