Geometry & MOs

Info

ID:

85675

PubChem CID:

49877975

Reduced:

S2O3N4C27H28 (1)

Stoich.:

A2B3C4D27E28 (1)

Weight, g/mol:

430.113333

ΔHf, kcal/mol:

-32.66

Dipole, Da:

7.97

IP(EA), eV:

 -8.77(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C/4\C(=O)N(C(=S)S4)CCC5=CC=CC=C5

DOS

IR

Vibrations