Geometry & MOs

Info

ID:	48389
PubChem CID:	10543862
Reduced:	SO3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	324.212071
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	9.11
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9aS)-2,2-ditert-butyl-6-prop-2-enyl-4a,6,7,9a-tetrahydro-4H-[1,3,2]dioxasilino[5,4-b]oxepine

Drug info:

PubChemData

Smile

CC1=CS(=O)(=O)CC1C(C2=CCC3=C(C2)CCCC3(C)C)O

DOS

IR

Vibrations