Geometry & MOs

Info

ID:

228903

PubChem CID:

87566160

Reduced:

ClFSN3O3C23H27 (1)

Stoich.:

ABCD3E3F23G27 (1)

Weight, g/mol:

456.199526

ΔHf, kcal/mol:

-114.15

Dipole, Da:

11.16

IP(EA), eV:

 -9.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C1CN(C/C(=C\C2=NN(C=C2)CCC(=O)O)/[C@H]1S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations