Geometry & MOs

Info

ID:

229245

PubChem CID:

87567253

Reduced:

ClFSN3O4C26H31 (1)

Stoich.:

ABCD3E4F26G31 (1)

Weight, g/mol:

521.191519

ΔHf, kcal/mol:

-168.17

Dipole, Da:

8.62

IP(EA), eV:

 -9.06(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]butanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=NN(C=C2)CCCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations