Geometry & MOs

Info

ID:	249378
PubChem CID:	103089079
Reduced:	NSC6H14 (2)
Stoich.:	ABC6D14 (2)
Weight, g/mol:	200.13472
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	2.34
IP(EA), eV:	-8.37(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-but-3-ynyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CCSC)N(C)C(CCCSC)CN

DOS

IR

Vibrations