Geometry & MOs

Info

ID:

189177

PubChem CID:

77825151

Reduced:

SN3O6C28H33 (1)

Stoich.:

AB3C6D28E33 (1)

Weight, g/mol:

507.231554

ΔHf, kcal/mol:

-201.06

Dipole, Da:

2.97

IP(EA), eV:

 -8.47(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(2-amino-4-fluorophenyl)piperidin-4-yl]methyl]-4-[2-(2,3-dihydro-1,3-thiazol-2-yl)-2-methylpyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)C(C(C(=O)NCCC2CC=CS2)O)O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations