Geometry & MOs

Info

ID:	28101
PubChem CID:	825569
Reduced:	SO2N5H11C15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	136.16
Dipole, Da:	4.9
IP(EA), eV:	-8.75(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N,N-diethyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations