Geometry & MOs

Info

ID:

1222

PubChem CID:

4010

Reduced:

N2O7C31H38 (1)

Stoich.:

A2B7C31D38 (1)

Weight, g/mol:

550.267902

ΔHf, kcal/mol:

-166.86

Dipole, Da:

5.75

IP(EA), eV:

 -8.73(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-hydroxy-5-[7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide

Drug info:

PubChemData

Smile

CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C2C(C1=O)O2)(C=CC=CC=CC(=O)NC3=C(CCC3=O)O)O

DOS

IR

Vibrations