Geometry & MOs

Info

ID:

414561

PubChem CID:

135087520

Reduced:

O6N10C33H42 (1)

Stoich.:

A6B10C33D42 (1)

Weight, g/mol:

302.13789

ΔHf, kcal/mol:

-144.64

Dipole, Da:

6.34

IP(EA), eV:

 -9.72(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC=C(C=C2)N3C=NN=N3)C)CC4=CC=CC=C4

DOS

IR

Vibrations