Geometry & MOs

Info

ID:

169224

PubChem CID:

75076286

Reduced:

SO22N23C77H107 (1)

Stoich.:

AB22C23D77E107 (1)

Weight, g/mol:

298.110613

ΔHf, kcal/mol:

-874.72

Dipole, Da:

4.88

IP(EA), eV:

 -8.5(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4aH-quinolin-2-ylidene)ethylidene]quinolin-8-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations