Geometry & MOs

Info

ID:	249349
PubChem CID:	103088817
Reduced:	FSCl2O2N3C12H12 (1)
Stoich.:	ABC2D2E3F12G12 (1)
Weight, g/mol:	190.15037
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	5.2
IP(EA), eV:	-9.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-2-N-propan-2-ylpentane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCCCC2=NC=CN2)Cl)F)Cl

DOS

IR

Vibrations