Geometry & MOs

Info

ID:	280148
PubChem CID:	103847227
Reduced:	BrNO4H26C27 (1)
Stoich.:	ABC4D26E27 (1)
Weight, g/mol:	505.08887
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	6.12
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=C(C=C1)C)Br)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations