Geometry & MOs

Info

ID:

317598

PubChem CID:

126644297

Reduced:

O3N6C34H40 (1)

Stoich.:

A3B6C34D40 (1)

Weight, g/mol:

480.19619

ΔHf, kcal/mol:

-25.34

Dipole, Da:

4.79

IP(EA), eV:

 -8.56(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations