Geometry & MOs

Info

ID:	124329
PubChem CID:	50878813
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	293.98916
ΔH_f, kcal/mol:	33.37
Dipole, Da:	8.43
IP(EA), eV:	-9.14(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-bromo-2-methylphenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(S2)NC3=NC4=C(O3)C=CC(=C4)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations