Geometry & MOs

Info

ID:	37547
PubChem CID:	8022091
Reduced:	BrO6H11C17 (1)
Stoich.:	AB6C11D17 (1)
Weight, g/mol:	393.02119
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	3.91
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)OC(=O)C=C2COC(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations