Geometry & MOs

Info

ID:	139790
PubChem CID:	52595776
Reduced:	N2O2F3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	455.19574
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	3.94
IP(EA), eV:	-9.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anilino-2-oxoethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H](CNC(=O)NC2=CC(=CC(=C2)F)F)O)F

DOS

IR

Vibrations