Geometry & MOs

Info

ID:	401900
PubChem CID:	135053276
Reduced:	ClNO7H26C27 (1)
Stoich.:	ABC7D26E27 (1)
Weight, g/mol:	132.024501
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	15.3
IP(EA), eV:	-8.26(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-3,6-dihydro-2H-thiopyran-3-ol

Drug info:

PubChemData

Smile

C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C=C1)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations