Geometry & MOs

Info

ID:	219370
PubChem CID:	85148328
Reduced:	SiO2C30H56 (1)
Stoich.:	AB2C30D56 (1)
Weight, g/mol:	475.97522
ΔH_f, kcal/mol:	-238.15
Dipole, Da:	3.84
IP(EA), eV:	-8.82(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-bromo-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(CCCO)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C

DOS

IR

Vibrations