Geometry & MOs

Info

ID:	431141
PubChem CID:	135171211
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	375.08103
ΔH_f, kcal/mol:	5.63
Dipole, Da:	5.07
IP(EA), eV:	-8.69(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-(5-oxothiolane-3-carbonyl)oxyethyl]amino]ethyl 5-oxothiolane-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCC[C@H](C1)NC2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations