Geometry & MOs

Info

ID:	227012
PubChem CID:	87559613
Reduced:	BrO2N3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	557.132015
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	7.73
IP(EA), eV:	-9.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(C)OC)[N+]1=CNC=C1.[Br-]

DOS

IR

Vibrations