Geometry & MOs

Info

ID:	436742
PubChem CID:	135209619
Reduced:	FSO3N4C28H35 (1)
Stoich.:	ABC3D4E28F35 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	2.18
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)F)C2=CC=C(C=C2)[C@@H]3[C@H](N4C3CN(CCCC4)S(=O)(=O)C5=CN=C(N5C)C)CO

DOS

IR

Vibrations