Geometry & MOs

Info

ID:	444451
PubChem CID:	135262470
Reduced:	IO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	313.017557
ΔH_f, kcal/mol:	27.66
Dipole, Da:	7.08
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-5-ethylsulfonylquinoline-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCC(=O)CC3)N(N=C2)C4=CC(=NC(=N4)OC)I

DOS

IR

Vibrations