Geometry & MOs

Info

ID:	285124
PubChem CID:	104098272
Reduced:	SN3O3C9H9 (1)
Stoich.:	AB3C3D9E9 (1)
Weight, g/mol:	258.04967
ΔH_f, kcal/mol:	43.15
Dipole, Da:	7.06
IP(EA), eV:	-9.69(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]thian-3-amine

Drug info:

PubChemData

Smile

C1=CON=C1CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations