Geometry & MOs

Info

ID:	280147
PubChem CID:	103847226
Reduced:	BrNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	507.10452
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	5.28
IP(EA), eV:	-9.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=C(C=C1)C)Br)C(=O)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations