Geometry & MOs

Info

ID:

323516

PubChem CID:

126675146

Reduced:

SF2N3O6C31H33 (1)

Stoich.:

AB2C3D6E31F33 (1)

Weight, g/mol:

371.187878

ΔHf, kcal/mol:

-261.03

Dipole, Da:

14.71

IP(EA), eV:

 -8.88(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(3S,6R)-6-hydroxy-2-methyloxan-3-yl]-N-methylpentanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations