Geometry & MOs

Info

ID:	157644
PubChem CID:	56436257
Reduced:	FSN2O5C22H27 (1)
Stoich.:	ABC2D5E22F27 (1)
Weight, g/mol:	411.288577
ΔH_f, kcal/mol:	-225.09
Dipole, Da:	5.37
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)OC)C(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations