Geometry & MOs

Info

ID:

49639

PubChem CID:

11533430

Reduced:

O2N5H27C31 (1)

Stoich.:

A2B5C27D31 (1)

Weight, g/mol:

501.260312

ΔHf, kcal/mol:

38.32

Dipole, Da:

3.71

IP(EA), eV:

 -9.08(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-3-(2,5-difluorophenyl)-N-[2-(fluoromethyl)-1-propylpiperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C(=O)NC2=CN=CC=C2)CC3=CC=C(C=C3)C4=C(C=C5C(=N4)C=CNC5=O)C6=CC=CC=C6

DOS

IR

Vibrations