Geometry & MOs

Info

ID:

123823

PubChem CID:

50862734

Reduced:

O3N4C28H34 (1)

Stoich.:

A3B4C28D34 (1)

Weight, g/mol:

505.239913

ΔHf, kcal/mol:

-99.22

Dipole, Da:

8.81

IP(EA), eV:

 -7.93(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(4-ethoxyphenyl)-2-sulfanylidene-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C/3\C(=O)N(C(=O)N3)CC(=O)NC4=CC=CC=C4)C(CC1(C)C)C

DOS

IR

Vibrations