Geometry & MOs

Info

ID:	249353
PubChem CID:	103088876
Reduced:	FSCl2N2O2C12H17 (1)
Stoich.:	ABC2D2E2F12G17 (1)
Weight, g/mol:	260.192235
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	3.65
IP(EA), eV:	-9.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-5-methylsulfanyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CC(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)N

DOS

IR

Vibrations