Geometry & MOs

Info

ID:

231638

PubChem CID:

87574351

Reduced:

PO3C15H16 (2)

Stoich.:

AB3C15D16 (2)

Weight, g/mol:

454.340673

ΔHf, kcal/mol:

-206.23

Dipole, Da:

3.87

IP(EA), eV:

 -8.26(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[(2,2-dimethylhexanoylamino)methyl]-4-[(2S)-2-formyl-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(P(=O)(C1=CC=CC=C1)C2=C(C=CC(=C2)OC)OC)P(=O)(C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations