Geometry & MOs

Info

ID:	227966
PubChem CID:	87563137
Reduced:	SN2O2C4H8 (1)
Stoich.:	AB2C2D4E8 (1)
Weight, g/mol:	262.050905
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	4.05
IP(EA), eV:	-9.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-anilino-6-chloropyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=S)OC(=O)N

DOS

IR

Vibrations