Geometry & MOs

Info

ID:	249151
PubChem CID:	103087238
Reduced:	ClNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	4.17
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(4-methylsulfanylbutylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CSCCCCNCCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations