Geometry & MOs

Info

ID:	269089
PubChem CID:	103612244
Reduced:	SN3O3H11C14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	41.91
Dipole, Da:	7.03
IP(EA), eV:	-10.07(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-5-chloro-N-cyclopropylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C#N)C(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations