Geometry & MOs

Info

ID:	244857
PubChem CID:	99431498
Reduced:	O2F3N4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	461.102097
ΔH_f, kcal/mol:	-187.07
Dipole, Da:	6.92
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-thiophen-2-yl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O)C

DOS

IR

Vibrations