Geometry & MOs

Info

ID:	442748
PubChem CID:	135256091
Reduced:	ON4C14H14 (2)
Stoich.:	AB4C14D14 (2)
Weight, g/mol:	487.153892
ΔH_f, kcal/mol:	75.73
Dipole, Da:	9.74
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC(=N1)CN2C=C(N=N2)C3=CC(=NC(=C3)N)C4=CC=CC(=C4)C#N)N5CCC(CC5)C(=O)O

DOS

IR

Vibrations