Geometry & MOs

Info

ID:	249214
PubChem CID:	103087797
Reduced:	FNSCl2O4C12H12 (1)
Stoich.:	ABCD2E4F12G12 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	-205.53
Dipole, Da:	2.05
IP(EA), eV:	-10.29(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations