Geometry & MOs

Info

ID:	33709
PubChem CID:	7887588
Reduced:	FNO6H16C18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	376.107064
ΔH_f, kcal/mol:	-251.27
Dipole, Da:	6.94
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)F

DOS

IR

Vibrations