Geometry & MOs

Info

ID:	249247
PubChem CID:	103088046
Reduced:	FSCl2N2O2H9C10 (1)
Stoich.:	ABC2D2E2F9G10 (1)
Weight, g/mol:	215.170771
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	2.39
IP(EA), eV:	-10.4(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-(4-methylsulfanylbutyl)butan-2-amine

Drug info:

PubChemData

Smile

CC(CC#N)NS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations