Geometry & MOs

Info

ID:	280149
PubChem CID:	103847230
Reduced:	BrNO4H24C27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	5.15
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)O)N(C2CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)Br

DOS

IR

Vibrations