Geometry & MOs

Info

ID:	222070
PubChem CID:	85293760
Reduced:	NSO5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	524.295801
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	7.49
IP(EA), eV:	-9.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-2-yl)ethyl]oxan-3-yl]oxy-tert-butyl-diphenylsilane

Drug info:

PubChemData

Smile

C1CC2(C(N(C2=O)S(=O)(=O)O)C3=CC=CC=C3)OC1

DOS

IR

Vibrations