Geometry & MOs

Info

ID:	249245
PubChem CID:	103088021
Reduced:	FSCl2N2O2C13H13 (1)
Stoich.:	ABC2D2E2F13G13 (1)
Weight, g/mol:	215.170771
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	6.25
IP(EA), eV:	-10.46(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylcyclopentyl)methyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations