Geometry & MOs

Info

ID:	46271
PubChem CID:	10523622
Reduced:	BrSO3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	377.075608
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	2.51
IP(EA), eV:	-9.66(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-methyl (2S,4R)-4-(trifluoromethylsulfonyloxy)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2S1(=O)=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations