Geometry & MOs

Info

ID:	144278
PubChem CID:	53341285
Reduced:	ClNF3O3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	451.127439
ΔH_f, kcal/mol:	-280.42
Dipole, Da:	4.31
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-[(2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations