Geometry & MOs

Info

ID:	431249
PubChem CID:	135171320
Reduced:	FNSO3C8H8 (1)
Stoich.:	ABCD3E8F8 (1)
Weight, g/mol:	161.990614
ΔH_f, kcal/mol:	-155.41
Dipole, Da:	8.15
IP(EA), eV:	-10.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3,4-dihydro-2H-thiopyran-6-carbaldehyde

Drug info:

PubChemData

Smile

C1CC2=C(C=C(N2)C(=O)F)S(=O)(=O)C1

DOS

IR

Vibrations