Geometry & MOs

Info

ID:	218144
PubChem CID:	85088947
Reduced:	IO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	434.160163
ΔH_f, kcal/mol:	-217.81
Dipole, Da:	1.2
IP(EA), eV:	-9.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-tert-butyl-10'-fluoro-4'-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione

Drug info:

PubChemData

Smile

COC(=O)C=CC(CC(C(COC(=O)C1=CC=CC=C1)I)O)O

DOS

IR

Vibrations