Geometry & MOs

Info

ID:	227411
PubChem CID:	87561711
Reduced:	ClFN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	158.040151
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	4.65
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiane-3,5-dicarbaldehyde

Drug info:

PubChemData

Smile

CC1(CN(C2=CN=C(N=C2N(C1)C3CCCCC3)Cl)C)F

DOS

IR

Vibrations