Geometry & MOs

Info

ID:	62531
PubChem CID:	26719840
Reduced:	N2S2O4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	311.989089
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	9.05
IP(EA), eV:	-8.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations