Geometry & MOs

Info

ID:	196029
PubChem CID:	78767767
Reduced:	FNSO2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	3.17
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[1-oxo-1-(2-piperidin-1-ylanilino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=CO2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations