Geometry & MOs

Info

ID:	140136
PubChem CID:	52652915
Reduced:	ClOSF3N4H16C19 (1)
Stoich.:	ABCD3E4F16G19 (1)
Weight, g/mol:	375.083076
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	8.64
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2-phenoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N[C@@H](C3=CC=CC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations