Geometry & MOs

Info

ID:	167407
PubChem CID:	74820835
Reduced:	NSO5C32H47 (1)
Stoich.:	ABC5D32E47 (1)
Weight, g/mol:	427.055754
ΔH_f, kcal/mol:	-241.33
Dipole, Da:	5.87
IP(EA), eV:	-8.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(8-fluoro-2-oxo-4aH-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O)C(=C1O)C)C

DOS

IR

Vibrations