Geometry & MOs

Info

ID:	76539
PubChem CID:	48425057
Reduced:	SO2F3N3C16H22 (1)
Stoich.:	AB2C3D3E16F22 (1)
Weight, g/mol:	386.156575
ΔH_f, kcal/mol:	-212.93
Dipole, Da:	2.97
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSC2=CC=NC=C2

DOS

IR

Vibrations