Geometry & MOs

Info

ID:	133575
PubChem CID:	51556674
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	244.154883
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	2.06
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl (2S,3S,4S,5S)-3,5-dimethylpyrrolidin-1-ium-2,4-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C)(C)C)SC1=NN=C2N1C3CCCCC3C(=O)N2CC=C

DOS

IR

Vibrations