Geometry & MOs

Info

ID:	277540
PubChem CID:	103829283
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	281.996283
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	2.01
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@@H](CN1CC2=NC=CS2)O

DOS

IR

Vibrations