Geometry & MOs

Info

ID:	36186
PubChem CID:	7980868
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	412.098998
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	5.16
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations