Geometry & MOs

Info

ID:	220412
PubChem CID:	85182450
Reduced:	BrClNO3C23H25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	478.314592
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	6.06
IP(EA), eV:	-9.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3-dihydroxy-4,4-dimethylheptyl] acetate

Drug info:

PubChemData

Smile

C[NH+]1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C(C4)C6=CC=C(C=C6)Br)O.[Cl-]

DOS

IR

Vibrations