Geometry & MOs

Info

ID:	392694
PubChem CID:	135017688
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	416.90343
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	3.9
IP(EA), eV:	-9.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-3-(3,4-dibromofuran-2-carbonyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C[C@H]2[C@H](C(=O)N2CC3=CC=CC=C3)O)OC

DOS

IR

Vibrations