Geometry & MOs

Info

ID:	228916
PubChem CID:	87566227
Reduced:	BrH8F10C17 (2)
Stoich.:	AB8C10D17 (2)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-891.24
Dipole, Da:	4.42
IP(EA), eV:	-9.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-oxo-4-sulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(C(C(C(C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C(C(C(C(C4=CC(=CC=C4)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations