Geometry & MOs

Info

ID:	326794
PubChem CID:	126688211
Reduced:	FO2N8C21H25 (1)
Stoich.:	AB2C8D21E25 (1)
Weight, g/mol:	372.134617
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	5.32
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-[[5-fluoro-2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)NC2CCCC(C2)NC3=NC(=NC=C3F)C4=CC=CC5=NNC(=O)N54

DOS

IR

Vibrations