Geometry & MOs

Info

ID:

85668

PubChem CID:

49877915

Reduced:

O5N7C17H19 (1)

Stoich.:

A5B7C17D19 (1)

Weight, g/mol:

643.13517

ΔHf, kcal/mol:

-81.03

Dipole, Da:

10.47

IP(EA), eV:

 -8.79(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z)-2-[[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/NC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N

DOS

IR

Vibrations