Geometry & MOs

Info

ID:	188294
PubChem CID:	77695394
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	534.191246
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	2.05
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-1-[4-[[5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1C)CCC2=NOC(=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations