Geometry & MOs

Info

ID:

44932

PubChem CID:

10506630

Reduced:

ClN2O6C29H33 (1)

Stoich.:

AB2C6D29E33 (1)

Weight, g/mol:

540.138675

ΔHf, kcal/mol:

-246.5

Dipole, Da:

6.81

IP(EA), eV:

 -8.62(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)O)OCC[C@@H]4CCN4C(=O)OC(C)(C)C

DOS

IR

Vibrations