Geometry & MOs

Info

ID:	268753
PubChem CID:	103600796
Reduced:	NOSF2C7H7 (1)
Stoich.:	ABCD2E7F7 (1)
Weight, g/mol:	254.036128
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	2.63
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitrothiophene-2-carbonyl)piperidin-4-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)C(F)F

DOS

IR

Vibrations