Geometry & MOs

Info

ID:	30815
PubChem CID:	841964
Reduced:	FNOSCl2H8C15 (1)
Stoich.:	ABCDE2F8G15 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	3.25
IP(EA), eV:	-9.17(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-ethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

DOS

IR

Vibrations