Geometry & MOs

Info

ID:	126566
PubChem CID:	50968145
Reduced:	S2O3N4C14H16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	282.176585
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	7.13
IP(EA), eV:	-9.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1CC(C2=C(S1(=O)=O)C=CS2)NC(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations