Geometry & MOs

Info

ID:	26273
PubChem CID:	643218
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	183.969399
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	5.29
IP(EA), eV:	-9.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dichloro-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)O)N

DOS

IR

Vibrations