Geometry & MOs

Info

ID:	326782
PubChem CID:	126688194
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	409.098394
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	3.44
IP(EA), eV:	-9.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanethiol;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

C[C@H]1CC1CCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations