Geometry & MOs

Info

ID:

141381

PubChem CID:

52871637

Reduced:

N3O3C18H22 (1)

Stoich.:

A3B3C18D22 (1)

Weight, g/mol:

343.135448

ΔHf, kcal/mol:

-63.89

Dipole, Da:

4.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.821840

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[2-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=CC=CC=C2C[NH+]3CCC[C@H]3C(=O)N

DOS

IR

Vibrations