Geometry & MOs

Info

ID:	144981
PubChem CID:	53444821
Reduced:	ClFSO2N3C10H11 (1)
Stoich.:	ABCD2E3F10G11 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	3.15
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylthiophen-3-yl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CSC(C(=NC(=O)N)N)O)F

DOS

IR

Vibrations