Geometry & MOs

Info

ID:	329503
PubChem CID:	126737644
Reduced:	SF4O4N5H19C20 (1)
Stoich.:	AB4C4D5E19F20 (1)
Weight, g/mol:	346.062343
ΔH_f, kcal/mol:	-263.58
Dipole, Da:	6.62
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,5-dimethylphenyl)sulfonyl-3-hydroxy-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC2=CSC(=N2)[C@]34COC5(C[C@H]3COC(=N4)N)CC5(F)F)OC(F)F

DOS

IR

Vibrations