Geometry & MOs

Info

ID:	39487
PubChem CID:	8140980
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	320.09277
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	7.16
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,5-trimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations