Geometry & MOs

Info

ID:	415159
PubChem CID:	135088150
Reduced:	ClSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-182.52
Dipole, Da:	3.58
IP(EA), eV:	-9.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methyl-7-methylsulfanylquinolin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)NC3=O)Cl

DOS

IR

Vibrations