Geometry & MOs

Info

ID:

229614

PubChem CID:

87568174

Reduced:

ClFSN3O4C27H33 (1)

Stoich.:

ABCD3E4F27G33 (1)

Weight, g/mol:

513.209756

ΔHf, kcal/mol:

-175.3

Dipole, Da:

7.13

IP(EA), eV:

 -9.25(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]pyrazol-1-yl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations