Geometry & MOs

Info

ID:	209251
PubChem CID:	80643945
Reduced:	ClNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	273.022642
ΔH_f, kcal/mol:	37.05
Dipole, Da:	3.08
IP(EA), eV:	-9.46(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorothiophene-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C#N)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations