Geometry & MOs

Info

ID:	155108
PubChem CID:	56320695
Reduced:	FN3O3C25H34 (1)
Stoich.:	AB3C3D25E34 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	2.35
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC(C)C2=C(C=CC(=C2)F)N3CCN(CC3)C)OCC

DOS

IR

Vibrations