Geometry & MOs

Info

ID:

310524

PubChem CID:

126581535

Reduced:

ClO2N7C23H28 (1)

Stoich.:

AB2C7D23E28 (1)

Weight, g/mol:

485.155532

ΔHf, kcal/mol:

39.27

Dipole, Da:

7.23

IP(EA), eV:

 -8.32(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C(/CNC1=NC(=NC=C1Cl)NC2=CN(N=C2)C3CCOCC3)\C=C(/C=C)\NC(=O)C=C

DOS

IR

Vibrations