Geometry & MOs

Info

ID:

214548

PubChem CID:

85083176

Reduced:

S2N7O7C21H21 (1)

Stoich.:

A2B7C7D21E21 (1)

Weight, g/mol:

547.186495

ΔHf, kcal/mol:

-114.73

Dipole, Da:

2.12

IP(EA), eV:

 -9.0(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CCC(=C(N3C2=O)C(=O)O)C4=CSC(=N4)NC(=O)OCC=C

DOS

IR

Vibrations