Geometry & MOs

Info

ID:	364097
PubChem CID:	127314032
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	7.69
IP(EA), eV:	-9.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations