Geometry & MOs

Info

ID:

159508

PubChem CID:

57288277

Reduced:

F3N3O8H30C32 (1)

Stoich.:

A3B3C8D30E32 (1)

Weight, g/mol:

369.124405

ΔHf, kcal/mol:

-392.35

Dipole, Da:

5.17

IP(EA), eV:

 -8.91(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H]4C(C([C@H](O4)N5C=CC(=O)NC5=O)NC(=O)C(F)(F)F)O

DOS

IR

Vibrations