Geometry & MOs

Info

ID:	304
PubChem CID:	2550
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	5.82
IP(EA), eV:	-9.22(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS)C(=O)N1CCCC1C(=O)O

DOS

IR

Vibrations