Geometry & MOs

Info

ID:	190211
PubChem CID:	77969251
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	552.215489
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	5.41
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(methoxymethyl)pyrrolidin-1-yl]-2-[[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=C(C=C2)CC(C)N)CF

DOS

IR

Vibrations