Geometry & MOs

Info

ID:

188291

PubChem CID:

77695003

Reduced:

N2O3C17H22 (2)

Stoich.:

A2B3C17D22 (2)

Weight, g/mol:

480.219512

ΔHf, kcal/mol:

-216.17

Dipole, Da:

7.01

IP(EA), eV:

 -9.03(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)NC)C(C=C5CCOCC5)O

DOS

IR

Vibrations