Geometry & MOs

Info

ID:	37543
PubChem CID:	8022059
Reduced:	BrO5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	6.15
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations