Geometry & MOs

Info

ID:	83941
PubChem CID:	49862706
Reduced:	O3F4N5C26H29 (1)
Stoich.:	A3B4C5D26E29 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	-258.55
Dipole, Da:	7.01
IP(EA), eV:	-9.28(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[(E)-1-phenylethylideneamino]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C(=O)N[C@@H](CCN2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4=NN=C(C=C4)C(F)(F)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations