Geometry & MOs

Info

ID:	236317
PubChem CID:	92712334
Reduced:	S2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	7.09
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)CN2C(=O)CSC3=CC=CN3C4=CC=CC=C42

DOS

IR

Vibrations