Geometry & MOs

Info

ID:	249326
PubChem CID:	103088628
Reduced:	SN2C12H28 (1)
Stoich.:	AB2C12D28 (1)
Weight, g/mol:	248.138091
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	2.38
IP(EA), eV:	-8.61(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-5-methylsulfanyl-2-N-(thiolan-3-yl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)CN(C)C(CCCSC)CN

DOS

IR

Vibrations