Geometry & MOs

Info

ID:	382389
PubChem CID:	134973520
Reduced:	N2O5C31H38 (1)
Stoich.:	A2B5C31D38 (1)
Weight, g/mol:	256.051778
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	2.58
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R)-6-(methylamino)-1,5-dioxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COCCC(CC1CC(=C2[C@@]3([C@H]1N(CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2)C(=O)OC)C6OCCO6

DOS

IR

Vibrations