Geometry & MOs

Info

ID:

310247

PubChem CID:

126577269

Reduced:

F2S2N3O3C28H33 (1)

Stoich.:

A2B2C3D3E28F33 (1)

Weight, g/mol:

477.175599

ΔHf, kcal/mol:

-214.79

Dipole, Da:

3.59

IP(EA), eV:

 -8.9(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(2-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)NCC3=C(SC4=C3CCC(C4)(F)F)N5C=CC=C5

DOS

IR

Vibrations