Geometry & MOs

Info

ID:	402836
PubChem CID:	135057457
Reduced:	BrSN3O6C24H30 (1)
Stoich.:	ABC3D6E24F30 (1)
Weight, g/mol:	482.16812
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	4.65
IP(EA), eV:	-8.99(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-azido-2-bromo-1-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]nonan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@H](CC[C@H](CN2C(=O)OC(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations