Geometry & MOs

Info

ID:	222530
PubChem CID:	85305457
Reduced:	SO4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	362.191336
ΔH_f, kcal/mol:	-143.59
Dipole, Da:	7.22
IP(EA), eV:	-10.19(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-8-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2CS(=O)(=O)C3=CC=CC=C3)OC(=O)C=C)C)C

DOS

IR

Vibrations