Geometry & MOs

Info

ID:	69415
PubChem CID:	47169994
Reduced:	ClN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	293.072179
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	9.91
IP(EA), eV:	-9.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-(4-methylsulfonylphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations