Geometry & MOs

Info

ID:	68438
PubChem CID:	46508406
Reduced:	N2S2O3H22C23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	448.124606
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	3.95
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3SCC4=CSC(=N4)C

DOS

IR

Vibrations