Geometry & MOs

Info

ID:	249381
PubChem CID:	103089089
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	200.13472
ΔH_f, kcal/mol:	28.18
Dipole, Da:	2.39
IP(EA), eV:	-8.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-but-3-yn-2-yl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CSCCCC(CN)NC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations