Geometry & MOs

Info

ID:	43393
PubChem CID:	10321223
Reduced:	O2F3N6H19C21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	444.120903
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	4.23
IP(EA), eV:	-8.69(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-benzoyloxy-3-methyl-4,5-dioxo-10,11-dihydro-9H-naphtho[2,1-g][1]benzofuran-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations