Geometry & MOs

Info

ID:	249454
PubChem CID:	103089603
Reduced:	FNSO2Cl3C11H11 (1)
Stoich.:	ABCD2E3F11G11 (1)
Weight, g/mol:	256.106791
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	4.39
IP(EA), eV:	-10.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methylsulfanyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]cyclopropanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations