Geometry & MOs

Info

ID:

229043

PubChem CID:

87566835

Reduced:

ClFSN4O5C24H28 (1)

Stoich.:

ABCD4E5F24G28 (1)

Weight, g/mol:

502.168619

ΔHf, kcal/mol:

-189.96

Dipole, Da:

9.49

IP(EA), eV:

 -9.86(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxypiperidin-3-ylidene]methyl]triazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)SC\1(CCN(C/C1=C\C2=CN=NN2CC(=O)OC)C(C3=CC=CC=C3F)C(=O)C4CC4)O.Cl

DOS

IR

Vibrations