Geometry & MOs

Info

ID:	249486
PubChem CID:	103089902
Reduced:	FNSO2Cl3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	198.082684
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	4.42
IP(EA), eV:	-9.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-pyrazin-2-ylbutan-1-ol

Drug info:

PubChemData

Smile

C1CC(C1)N(CCCl)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations