Geometry & MOs

Info

ID:

404935

PubChem CID:

135071828

Reduced:

N4O11C44H52 (1)

Stoich.:

A4B11C44D52 (1)

Weight, g/mol:

458.085577

ΔHf, kcal/mol:

-394.74

Dipole, Da:

3.7

IP(EA), eV:

 -9.3(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NZ)-N-[(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dienylidene]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)/C=C/COC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)C3=CN(C(=O)N3COCC4=CC=CC=C4)COCC5=CC=CC=C5)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations