Geometry & MOs

Info

ID:

4053

PubChem CID:

10652

Reduced:

N2O9C26H36 (1)

Stoich.:

A2B9C26D36 (1)

Weight, g/mol:

520.242081

ΔHf, kcal/mol:

-407.19

Dipole, Da:

7.43

IP(EA), eV:

 -8.86(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6S,7S,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@@H]([C@@H](OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C

DOS

IR

Vibrations