Geometry & MOs

Info

ID:	284901
PubChem CID:	104081877
Reduced:	N2O2S2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	232.19732
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	4.96
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3-ethylsulfanylpropyl)-2-N,2-N,3-trimethylbutane-1,2-diamine

Drug info:

PubChemData

Smile

CCSCCCNCCC1=CC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations