Geometry & MOs

Info

ID:	131862
PubChem CID:	51270416
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	317.11757
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	3.1
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)ethyl]-2-(methylamino)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)SCC2=CC(=O)N3C=CC=C(C3=N2)C

DOS

IR

Vibrations