Geometry & MOs

Info

ID:

62894

PubChem CID:

26737514

Reduced:

ClSO2N5C24H27 (1)

Stoich.:

ABC2D5E24F27 (1)

Weight, g/mol:

518.106706

ΔHf, kcal/mol:

20.78

Dipole, Da:

5.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.841340

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5S)-2-[(2-chlorophenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations