Geometry & MOs

Info

ID:

304354

PubChem CID:

124558508

Reduced:

O2N5C18H19 (1)

Stoich.:

A2B5C18D19 (1)

Weight, g/mol:

606.12275

ΔHf, kcal/mol:

41.41

Dipole, Da:

5.78

IP(EA), eV:

 -9.5(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E,5S)-2-[[3-chloro-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H]2C[C@@H]1C=C2)C(=O)NC3=CC=CC=C3C(=O)NN4C=NN=C4

DOS

IR

Vibrations