Geometry & MOs

Info

ID:

219948

PubChem CID:

85165076

Reduced:

SSeSiN2O3C31H36 (1)

Stoich.:

ABCD2E3F31G36 (1)

Weight, g/mol:

621.163714

ΔHf, kcal/mol:

-116.67

Dipole, Da:

4.97

IP(EA), eV:

 -8.99(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzenesulfonamido)-3-[[2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]thieno[2,3-b]thiophene-5-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3CSC(C3[Se]C4=CC=CC=C4)N5CCC(=O)NC5=O

DOS

IR

Vibrations