Geometry & MOs

Info

ID:	249393
PubChem CID:	103089157
Reduced:	FSCl2N2O2C12H17 (1)
Stoich.:	ABC2D2E2F12G17 (1)
Weight, g/mol:	240.075491
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	5.31
IP(EA), eV:	-9.58(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-2-(thiophen-2-ylmethylamino)pentanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations