Geometry & MOs

Info

ID:	179245
PubChem CID:	76455608
Reduced:	ClNSiO5C25H37 (1)
Stoich.:	ABCD5E25F37 (1)
Weight, g/mol:	374.97677
ΔH_f, kcal/mol:	-220.26
Dipole, Da:	5.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765231
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-fluoro-6-(iodomethyl)-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C)C1C2C(C(=C[N+]2(C1=O)C(=O)OCC3=CC=C(C=C3)OC)CCl)C

DOS

IR

Vibrations