Geometry & MOs

Info

ID:	252329
PubChem CID:	103110606
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	337.99022
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	7.48
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-methyl-3-nitrophenyl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNS(=O)(=O)C(C)C#N

DOS

IR

Vibrations