Geometry & MOs

Info

ID:	227320
PubChem CID:	87561227
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	158.040151
ΔH_f, kcal/mol:	12.02
Dipole, Da:	6.1
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiane-2,5-dicarbaldehyde

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C(=O)NC3=CC=C(C=C3)/C(=N/O)/N

DOS

IR

Vibrations