Geometry & MOs

Info

ID:

169576

PubChem CID:

75121082

Reduced:

ClSO4N5C25H26 (1)

Stoich.:

ABC4D5E25F26 (1)

Weight, g/mol:

465.021991

ΔHf, kcal/mol:

-32.85

Dipole, Da:

10.63

IP(EA), eV:

 -8.38(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(NNC2SCC(=O)NNC=C3C=CC(=O)C=C3O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations