Geometry & MOs

Info

ID:	157968
PubChem CID:	56459357
Reduced:	OF2N7H19C22 (1)
Stoich.:	AB2C7D19E22 (1)
Weight, g/mol:	419.144967
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	8.87
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C#N)N

DOS

IR

Vibrations