Geometry & MOs

Info

ID:	186604
PubChem CID:	77452277
Reduced:	NO5C38H61 (1)
Stoich.:	AB5C38D61 (1)
Weight, g/mol:	452.020926
ΔH_f, kcal/mol:	-306.79
Dipole, Da:	5.43
IP(EA), eV:	-9.51(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-6-(furan-3-yl)-4-oxo-8-(trifluoromethyl)-8H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)CC(=O)NC

DOS

IR

Vibrations