Geometry & MOs

Info

ID:	157494
PubChem CID:	56431946
Reduced:	Cl2N3O3H21C22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	440.084221
ΔH_f, kcal/mol:	-61.97
Dipole, Da:	2.52
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)C)CC(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations