Geometry & MOs

Info

ID:	157495
PubChem CID:	56431947
Reduced:	FSN2O5H17C22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	3.29
IP(EA), eV:	-8.94(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

DOS

IR

Vibrations