Geometry & MOs

Info

ID:	66092
PubChem CID:	46491070
Reduced:	BrN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	441.03242
ΔH_f, kcal/mol:	-80.92
Dipole, Da:	4.94
IP(EA), eV:	-8.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br)O

DOS

IR

Vibrations