Geometry & MOs

Info

ID:	57564
PubChem CID:	22425476
Reduced:	SN2O8C24H24 (1)
Stoich.:	AB2C8D24E24 (1)
Weight, g/mol:	501.036848
ΔH_f, kcal/mol:	-274.62
Dipole, Da:	4.0
IP(EA), eV:	-8.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(=O)OC)OC

DOS

IR

Vibrations