Geometry & MOs

Info

ID:	128769
PubChem CID:	51057404
Reduced:	Cl2N2O4H12C19 (1)
Stoich.:	A2B2C4D12E19 (1)
Weight, g/mol:	398.066949
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	7.42
IP(EA), eV:	-8.84(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)/C=C/C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations