Geometry & MOs

Info

ID:

170288

PubChem CID:

75214670

Reduced:

NO7C28H37 (1)

Stoich.:

AB7C28D37 (1)

Weight, g/mol:

581.367616

ΔHf, kcal/mol:

-273.61

Dipole, Da:

2.39

IP(EA), eV:

 -9.94(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyldecanoyl)amino]methyl]-1,2-oxazol-3-yl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N2C(OCC2(C1(C#CCCC(=O)C(C)(C)C(C3=CC=CC=C3)O)O)C(=O)O)C(C)(C)C)C

DOS

IR

Vibrations