Geometry & MOs

Info

ID:	141038
PubChem CID:	52807579
Reduced:	ClOSN5H14C19 (1)
Stoich.:	ABCD5E14F19 (1)
Weight, g/mol:	392.153621
ΔH_f, kcal/mol:	88.47
Dipole, Da:	2.71
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-phenoxybenzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations