Geometry & MOs

Info

ID:	207124
PubChem CID:	80350244
Reduced:	OCl2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	294.947284
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	5.74
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dichloro-2-nitrophenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CN(C)CC1CC(CN1C2=CC(=C(C=C2N)Cl)Cl)O

DOS

IR

Vibrations