Geometry & MOs

Info

ID:	280146
PubChem CID:	103847220
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	419.07322
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	3.45
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenyl)-2-[phenylmethoxycarbonyl(propyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)O)N(C)C(=O)OCC2=CC=CC=C2)Br

DOS

IR

Vibrations