Geometry & MOs

Info

ID:	185350
PubChem CID:	77288551
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	698.369093
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	3.89
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[7-carbamoyloxy-3-[ethyl-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]carbamoyl]-2,2-dimethylheptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1C(OC(=N1)C2=CC=CC=C2F)(CCCN)C3=CC=CC=C3)OC

DOS

IR

Vibrations