Geometry & MOs

Info

ID:	382683
PubChem CID:	134973994
Reduced:	FC19H27 (1)
Stoich.:	AB19C27 (1)
Weight, g/mol:	387.206602
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	1.68
IP(EA), eV:	-9.35(1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[3-(3-methylimidazol-3-ium-1-yl)propylsulfonylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC=C2)CC=C4[C@@]3(CC[C@@H](C4)F)C

DOS

IR

Vibrations