Geometry & MOs

Info

ID:	150533
PubChem CID:	53790226
Reduced:	BrClFO2N3H12C19 (1)
Stoich.:	ABCD2E3F12G19 (1)
Weight, g/mol:	553.131249
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	5.95
IP(EA), eV:	-9.13(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)NC(=O)NC2=NC=C(C=C2)C3=CC=C(C=C3)Br)F

DOS

IR

Vibrations