Geometry & MOs

Info

ID:	150136
PubChem CID:	53789823
Reduced:	NO5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	543.085145
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	6.12
IP(EA), eV:	-10.82(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-(4-fluorophenyl)-N,5-dimethyl-4-oxo-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C1)(C(=O)OC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations