Geometry & MOs

Info

ID:	143841
PubChem CID:	53268329
Reduced:	BrNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	450.96055
ΔH_f, kcal/mol:	-114.31
Dipole, Da:	0.89
IP(EA), eV:	-8.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-bromo-4-tert-butylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)C(C)(C)C)Br)OC

DOS

IR

Vibrations