Geometry & MOs

Info

ID:

228978

PubChem CID:

87566615

Reduced:

ClFSN4O4C27H34 (1)

Stoich.:

ABCD4E4F27G34 (1)

Weight, g/mol:

494.126476

ΔHf, kcal/mol:

-144.59

Dipole, Da:

3.17

IP(EA), eV:

 -8.78(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[(3E)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(1,2-thiazol-3-ylmethylidene)piperidin-4-yl] 2-methylpropanethioate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C=C(N=N1)/C=C\2/CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations