Geometry & MOs

Info

ID:	69414
PubChem CID:	47169992
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	274.050905
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	1.28
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-5-ethylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations