Geometry & MOs

Info

ID:	249357
PubChem CID:	103088917
Reduced:	FSCl2N2O2C12H15 (1)
Stoich.:	ABC2D2E2F12G15 (1)
Weight, g/mol:	230.18167
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	2.77
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cyclohexyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

C1CNCCC1CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations