Geometry & MOs

Info

ID:	442708
PubChem CID:	135255916
Reduced:	FO2N8H23C25 (1)
Stoich.:	AB2C8D23E25 (1)
Weight, g/mol:	514.187715
ΔH_f, kcal/mol:	33.5
Dipole, Da:	3.48
IP(EA), eV:	-9.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@](C)(CC(=O)O)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4F)C#N)N

DOS

IR

Vibrations