Geometry & MOs

Info

ID:	284740
PubChem CID:	104067040
Reduced:	ClNSO2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	295.052383
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	5.17
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(5-fluoropyridin-3-yl)ethyl]-4-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC2=CC=NC=C2)C(=O)O)Cl

DOS

IR

Vibrations