Geometry & MOs

Info

ID:	203538
PubChem CID:	79842829
Reduced:	FSN3O3C12H18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	262.08097
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	2.79
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-methylsulfonylethyl)-1-thiophen-3-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC(=O)NC1=C(C=C(C=C1)F)N

DOS

IR

Vibrations