Geometry & MOs

Info

ID:	266797
PubChem CID:	103579482
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	5.47
IP(EA), eV:	-9.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N[C@@H](CC2=CC=CC=C2)CO

DOS

IR

Vibrations