Geometry & MOs

Info

ID:	297070
PubChem CID:	117607571
Reduced:	O2F3N4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	509.125671
ΔH_f, kcal/mol:	-173.02
Dipole, Da:	3.92
IP(EA), eV:	-9.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(3-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)C3=NN=C4N3CCOC4

DOS

IR

Vibrations