Geometry & MOs

Info

ID:	285134
PubChem CID:	104098295
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	276.060235
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	4.42
IP(EA), eV:	-8.78(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfinyl-N-[(5-nitrothiophen-2-yl)methyl]butan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCO)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations