Geometry & MOs

Info

ID:

441569

PubChem CID:

135236259

Reduced:

SF3N3O6H20C25 (1)

Stoich.:

AB3C3D6E20F25 (1)

Weight, g/mol:

494.173625

ΔHf, kcal/mol:

-317.27

Dipole, Da:

12.31

IP(EA), eV:

 -8.74(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-7-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)NS(=O)(=O)C)C(F)(F)F)C(=O)O

DOS

IR

Vibrations