Geometry & MOs

Info

ID:	403175
PubChem CID:	135059067
Reduced:	Br2N2O5H12C14 (1)
Stoich.:	A2B2C5D12E14 (1)
Weight, g/mol:	534.12665
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	4.29
IP(EA), eV:	-9.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-azido-2-bromo-3-(3,4-dimethoxyphenyl)-1-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(C2=CC=CO2)C([N+](=O)[O-])(Br)Br

DOS

IR

Vibrations