Geometry & MOs

Info

ID:

299593

PubChem CID:

117688087

Reduced:

O3N4C22H26 (2)

Stoich.:

A3B4C22D26 (2)

Weight, g/mol:

635.262499

ΔHf, kcal/mol:

-151.62

Dipole, Da:

5.09

IP(EA), eV:

 -8.15(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[1-(2-methylpropoxycarbonyloxy)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)CCC4=C3C=CC(=C4)C#CC5=CC=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)N(C)C(=O)O)NC(=O)OC

DOS

IR

Vibrations