Geometry & MOs

Info

ID:	157138
PubChem CID:	56422179
Reduced:	FO2S2N4C22H23 (1)
Stoich.:	AB2C2D4E22F23 (1)
Weight, g/mol:	363.105291
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	9.13
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)CC3=CSC(=N3)NC(=O)CC4=CC=CS4

DOS

IR

Vibrations