Geometry & MOs

Info

ID:	190964
PubChem CID:	78087627
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	542.178812
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	6.12
IP(EA), eV:	-9.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3',4',5'-triacetyloxy-5-[(4-hydroxyphenyl)methyl]spiro[1H-2-benzofuran-3,6'-oxane]-2'-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CCC(C1)CCCN2CCN(C3C2CS(=O)(=O)C3)CC4=CC=CC=C4

DOS

IR

Vibrations