Geometry & MOs

Info

ID:

426345

PubChem CID:

135143542

Reduced:

ON4H36C57 (1)

Stoich.:

AB4C36D57 (1)

Weight, g/mol:

526.261377

ΔHf, kcal/mol:

259.31

Dipole, Da:

0.81

IP(EA), eV:

 -8.33(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=C1C2=CC=CC=C2OC1=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations