Geometry & MOs

Info

ID:

220197

PubChem CID:

85165351

Reduced:

N3O7C39H47 (1)

Stoich.:

A3B7C39D47 (1)

Weight, g/mol:

669.341401

ΔHf, kcal/mol:

-255.54

Dipole, Da:

5.8

IP(EA), eV:

 -9.5(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-yl)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N,N-dibutylacetamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC1=CC=CC=C1)C(=O)C2C(C(C=C(O2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)C

DOS

IR

Vibrations