Geometry & MOs

Info

ID:	291470
PubChem CID:	112643515
Reduced:	N2O2S2C9H14 (1)
Stoich.:	A2B2C2D9E14 (1)
Weight, g/mol:	232.19732
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	4.14
IP(EA), eV:	-9.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-dimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(CC2=CN=CS2)N

DOS

IR

Vibrations