Geometry & MOs

Info

ID:	280145
PubChem CID:	103847200
Reduced:	NO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	2.61
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC2(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C1

DOS

IR

Vibrations