Geometry & MOs

Info

ID:	263808
PubChem CID:	103400058
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	273.022642
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	1.03
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=CSC(=N1)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations