Geometry & MOs

Info

ID:	283728
PubChem CID:	104002066
Reduced:	SN3O6C10H19 (1)
Stoich.:	AB3C6D10E19 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-286.17
Dipole, Da:	9.24
IP(EA), eV:	-10.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(hex-5-yn-3-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N)NC(=O)NC(CCS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations