Geometry & MOs

Info

ID:	37545
PubChem CID:	8022084
Reduced:	BrO6H13C15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	376.98989
ΔH_f, kcal/mol:	-209.76
Dipole, Da:	1.29
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzamido-2-oxoethyl) 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)C2=C(C=CC(=C2)Br)O)C(=O)OC

DOS

IR

Vibrations