Geometry & MOs

Info

ID:	270697
PubChem CID:	103637722
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	301.089641
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	3.23
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-fluoro-N-(3-methylsulfanylbutyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations