Geometry & MOs

Info

ID:

229480

PubChem CID:

87567806

Reduced:

ClFSN3O4C25H29 (1)

Stoich.:

ABCD3E4F25G29 (1)

Weight, g/mol:

485.178456

ΔHf, kcal/mol:

-153.81

Dipole, Da:

6.74

IP(EA), eV:

 -8.98(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)S[C@H]\1CCN(C/C1=C\C2=NN(C=C2)CCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations