Geometry & MOs

Info

ID:	54541
PubChem CID:	17388857
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	425.068156
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	11.21
IP(EA), eV:	-9.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]phenyl]sulfonylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)NC2CCCCC2.Cl

DOS

IR

Vibrations