Geometry & MOs

Info

ID:

310526

PubChem CID:

126581576

Reduced:

OSF3N3C25H32 (1)

Stoich.:

ABC3D3E25F32 (1)

Weight, g/mol:

540.222883

ΔHf, kcal/mol:

-174.76

Dipole, Da:

7.82

IP(EA), eV:

 -8.59(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)CCCNC(=O)C3=CC(=CS3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations