Geometry & MOs

Info

ID:	141081
PubChem CID:	52814578
Reduced:	O3N5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	346.151513
ΔH_f, kcal/mol:	-5.68
Dipole, Da:	6.04
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=NC=C(C=C3C=N2)C(=O)NCC4=CC(=CC=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations