Geometry & MOs

Info

ID:	249298
PubChem CID:	103088404
Reduced:	FNSCl3O3H7C12 (1)
Stoich.:	ABCD3E3F7G12 (1)
Weight, g/mol:	185.123821
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	2.9
IP(EA), eV:	-9.27(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)pent-4-yn-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)Cl)O

DOS

IR

Vibrations