Geometry & MOs

Info

ID:	249325
PubChem CID:	103088624
Reduced:	FNSCl2O3C12H16 (1)
Stoich.:	ABCD2E3F12G16 (1)
Weight, g/mol:	232.19732
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	3.54
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations