Geometry & MOs

Info

ID:	283740
PubChem CID:	104003091
Reduced:	SN2O3C8H14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	1.48
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CSC1)NC(=O)NCC(=O)O

DOS

IR

Vibrations