Geometry & MOs

Info

ID:	217964
PubChem CID:	85088663
Reduced:	O3F4N4C18H26 (1)
Stoich.:	A3B4C4D18E26 (1)
Weight, g/mol:	416.118378
ΔH_f, kcal/mol:	-328.05
Dipole, Da:	4.61
IP(EA), eV:	-9.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-difluoro-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

CC1C2C(CC(C1N3CC(CC3C(C(F)(F)F)N)O)F)C(=O)NC(=O)N2C4CC4

DOS

IR

Vibrations