Geometry & MOs

Info

ID:	242514
PubChem CID:	97301761
Reduced:	NO2H5F6C9 (1)
Stoich.:	AB2C5D6E9 (1)
Weight, g/mol:	392.104459
ΔH_f, kcal/mol:	-374.84
Dipole, Da:	6.2
IP(EA), eV:	-9.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(N-carbamimidoyl-4-fluoroanilino) oxalate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC(F)(F)F)C(=O)C(F)(F)F)N

DOS

IR

Vibrations