Geometry & MOs

Info

ID:	329161
PubChem CID:	126731466
Reduced:	OSF5N5H16C23 (1)
Stoich.:	ABC5D5E16F23 (1)
Weight, g/mol:	380.29266
ΔH_f, kcal/mol:	-124.89
Dipole, Da:	3.58
IP(EA), eV:	-8.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-6-[1-(4,5-ditert-butyl-1,3-dioxol-2-yl)-2-methylpropan-2-yl]-2,3-dihydro-1,4-dioxine

Drug info:

PubChemData

Smile

C1CC1CNC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=CC(=C4F)NSC5=CC(=CC(=C5F)F)F)F

DOS

IR

Vibrations