Geometry & MOs

Info

ID:	442707
PubChem CID:	135255913
Reduced:	ON8C24H24 (1)
Stoich.:	AB8C24D24 (1)
Weight, g/mol:	486.1928
ΔH_f, kcal/mol:	127.58
Dipole, Da:	11.2
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[6-[[4-[2-amino-6-(3-cyano-2-fluorophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4OC)C#N)N

DOS

IR

Vibrations