Geometry & MOs

Info

ID:	249221
PubChem CID:	103087870
Reduced:	FNSCl2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	263.120467
ΔH_f, kcal/mol:	-212.26
Dipole, Da:	3.92
IP(EA), eV:	-10.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(CCCNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations