Geometry & MOs

Info

ID:	403284
PubChem CID:	135059545
Reduced:	SO3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	474.10552
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	6.58
IP(EA), eV:	-9.2(-0.95)
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]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=CC=CC=C3S(=O)(=O)OC2=C1)C

DOS

IR

Vibrations