Geometry & MOs

Info

ID:	28590
PubChem CID:	828492
Reduced:	ClNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	263.034921
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	4.25
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations