Geometry & MOs

Info

ID:

159428

PubChem CID:

57280140

Reduced:

O3N6C44H44 (1)

Stoich.:

A3B6C44D44 (1)

Weight, g/mol:

396.298808

ΔHf, kcal/mol:

181.11

Dipole, Da:

7.34

IP(EA), eV:

 -8.75(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-2,2-dimethyl-5-[2-methyl-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)C#CC2=CC=CC=C2)(C(COCC(C(C3=CC=C(C=C3)C#CC4=CC=CC=C4)(C(C)C)O)N5C=NC=N5)N6C=NC=N6)O

DOS

IR

Vibrations