Geometry & MOs

Info

ID:	57568
PubChem CID:	22425488
Reduced:	FN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	517.072627
ΔH_f, kcal/mol:	-153.79
Dipole, Da:	4.75
IP(EA), eV:	-8.95(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chlorophenyl)methylsulfanyl]-4-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=O

DOS

IR

Vibrations