Geometry & MOs

Info

ID:	401421
PubChem CID:	135051224
Reduced:	ClNaOSH4C7 (1)
Stoich.:	ABCDE4F7 (1)
Weight, g/mol:	171.974964
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	4.36
IP(EA), eV:	-7.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-sulfanylbenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)[S-])C=O.[Na+]

DOS

IR

Vibrations