Geometry & MOs

Info

ID:

435566

PubChem CID:

135191825

Reduced:

O3C13H24 (1)

Stoich.:

A3B13C24 (1)

Weight, g/mol:

1019.420439

ΔHf, kcal/mol:

-151.26

Dipole, Da:

3.8

IP(EA), eV:

-9.65(0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3',6'-bis[ethyl-[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]-2',7'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCCOCC1(CCCCC1)C=O

DOS

IR

Vibrations