Geometry & MOs

Info

ID:

181809

PubChem CID:

76796945

Reduced:

O22N23C79H121 (1)

Stoich.:

A22B23C79D121 (1)

Weight, g/mol:

430.022804

ΔHf, kcal/mol:

-847.82

Dipole, Da:

15.24

IP(EA), eV:

 -8.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-methyl-7-[(2-methyl-4-thiophen-3-yl-1,3-thiazol-5-yl)methylidene]-4,6-dioxo-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=CN(N=N1)CC(=O)CCCOCCOCCOCCOCCC(=O)N(CCC(=O)NCCCCC2C(=O)NC(C(=O)NCC(=O)CC(C(=O)NN(C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCNC(=N)N)CCC(=O)NCCCCC4C(=O)NC(C(=O)NCC(=O)NC(C(=O)NN(C(=O)N4)CC5=CC=CC=C5)CC(=O)O)CCCNC(=N)N

DOS

IR

Vibrations