Geometry & MOs

Info

ID:	280559
PubChem CID:	103849901
Reduced:	O2S2N3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	273.121237
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	2.86
IP(EA), eV:	-10.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(2R)-oxolane-2-carbonyl]amino]propanedioate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC(C#N)C2CC2

DOS

IR

Vibrations