Geometry & MOs

Info

ID:	57026
PubChem CID:	22395235
Reduced:	ClNOS2C8H12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	147.0354
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	3.25
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-oxo-5-sulfanylpentanal

Drug info:

PubChemData

Smile

CSC1(CN2C(CC2=O)SC1)CCl

DOS

IR

Vibrations