Geometry & MOs

Info

ID:	155211
PubChem CID:	56322663
Reduced:	FSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	417.1536
ΔH_f, kcal/mol:	-218.47
Dipole, Da:	9.16
IP(EA), eV:	-9.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]-4-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations