Geometry & MOs

Info

ID:	397388
PubChem CID:	135030146
Reduced:	SN2O3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	315.99603
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	6.55
IP(EA), eV:	-9.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,3S)-2'-(iodomethyl)spiro[2H-1-benzofuran-3,4'-oxolane]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C3(C4=CC=CC=C4NC3=O)OC(=N)S2

DOS

IR

Vibrations