Geometry & MOs

Info

ID:	153544
PubChem CID:	56312792
Reduced:	BrN4O4H17C22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	467.04807
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	8.58
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(=O)N1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations