Geometry & MOs

Info

ID:	37546
PubChem CID:	8022090
Reduced:	BrNO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	389.9739
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	4.67
IP(EA), eV:	-9.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations