Geometry & MOs

Info

ID:	285118
PubChem CID:	104098258
Reduced:	SN2O2F3C8H9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	274.08097
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	5.42
IP(EA), eV:	-9.84(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC(=C1)[N+](=O)[O-])CNCCC(F)(F)F

DOS

IR

Vibrations