Geometry & MOs

Info

ID:	219401
PubChem CID:	85148363
Reduced:	NSO5C27H29 (1)
Stoich.:	ABC5D27E29 (1)
Weight, g/mol:	478.15703
ΔH_f, kcal/mol:	-139.1
Dipole, Da:	3.98
IP(EA), eV:	-8.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NC3=C(S2)CCC3)OCCCOC4=CC5=C(C=C4)C(CC5)CC(=O)O

DOS

IR

Vibrations