Geometry & MOs

Info

ID:	62345
PubChem CID:	26719397
Reduced:	FSN3O3H10C16 (1)
Stoich.:	ABC3D3E10F16 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	6.48
IP(EA), eV:	-9.51(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethyl-N-(3-nitrophenyl)furan-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations