Geometry & MOs

Info

ID:	435376
PubChem CID:	135191318
Reduced:	O2F3N5C23H24 (1)
Stoich.:	A2B3C5D23E24 (1)
Weight, g/mol:	473.06992
ΔH_f, kcal/mol:	-154.01
Dipole, Da:	9.8
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-iodo-7-methoxy-1-[(2S)-1-methoxy-3-methylbutan-2-yl]-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CN2C(C=C1)NN=C2C(=O)N3C[C@H]4CC(C[C@H]4C3)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations