Geometry & MOs

Info

ID:	263809
PubChem CID:	103400100
Reduced:	ClNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	296.002241
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	7.91
IP(EA), eV:	-9.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-methylthiophene-2-carbonyl)amino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)N2CCC[C@@H]2C(=O)O

DOS

IR

Vibrations