Geometry & MOs

Info

ID:	204733
PubChem CID:	80001836
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	392.90733
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	4.1
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(O2)C3COCC3N)C

DOS

IR

Vibrations