Geometry & MOs

Info

ID:	185261
PubChem CID:	77278111
Reduced:	LiNOH7C9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	322.087495
ΔH_f, kcal/mol:	-17.09
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042671
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-methylfuran-2-yl)phenoxy]thiane-3,4,5-triol

Drug info:

PubChemData

Smile

[Li].C1=CC2C=CC(=O)N=C2C=C1

DOS

IR

Vibrations