Geometry & MOs

Info

ID:	244900
PubChem CID:	99431557
Reduced:	NO2S2F3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	422.167808
ΔH_f, kcal/mol:	-176.45
Dipole, Da:	4.7
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)C2=CC=CC=C2SCC3=CC=CS3)(C(F)(F)F)O

DOS

IR

Vibrations