Geometry & MOs

Info

ID:

123884

PubChem CID:

50863821

Reduced:

N3O4C28H33 (1)

Stoich.:

A3B4C28D33 (1)

Weight, g/mol:

474.218843

ΔHf, kcal/mol:

-147.25

Dipole, Da:

12.71

IP(EA), eV:

 -8.41(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[(5Z)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4C)C(CC1(C)C)C

DOS

IR

Vibrations