Geometry & MOs

Info

ID:	66091
PubChem CID:	46491068
Reduced:	FN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	414.02152
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	4.52
IP(EA), eV:	-10.0(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[(2-hydroxy-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations