Geometry & MOs

Info

ID:	217938
PubChem CID:	85088623
Reduced:	S2N3O6C16H19 (1)
Stoich.:	A2B3C6D16E19 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	10.69
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(7-amino-8-ethyl-5-azaspiro[2.5]octan-5-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(=O)CN1C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

DOS

IR

Vibrations