Geometry & MOs

Info

ID:

381089

PubChem CID:

134971725

Reduced:

O6H44C49 (1)

Stoich.:

A6B44C49 (1)

Weight, g/mol:

444.226037

ΔHf, kcal/mol:

-88.57

Dipole, Da:

1.47

IP(EA), eV:

 -8.59(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,4Z)-2-benzyl-4-[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]methylidene]-3,5-dioxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC2=CC(=CC(=C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OCC5=CC(=CC(=C5)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

DOS

IR

Vibrations