Geometry & MOs

Info

ID:	389799
PubChem CID:	134995290
Reduced:	S3O6C7H12 (1)
Stoich.:	A3B6C7D12 (1)
Weight, g/mol:	162.071451
ΔH_f, kcal/mol:	-256.36
Dipole, Da:	7.76
IP(EA), eV:	-9.27(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butylsulfinylpropanal

Drug info:

PubChemData

Smile

C(CSSC(CC(=O)O)C(=O)O)CS(=O)O

DOS

IR

Vibrations