Geometry & MOs

Info

ID:

327611

PubChem CID:

126690518

Reduced:

F3N4O6H31C35 (2)

Stoich.:

A3B4C6D31E35 (2)

Weight, g/mol:

418.068881

ΔHf, kcal/mol:

-549.46

Dipole, Da:

8.13

IP(EA), eV:

 -9.25(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-anilinoethyl(methyl)amino]-N-(2-chlorobut-3-ynyl)thieno[2,3-d][1,2]thiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OCC6CCC(CC6)C7=NOC(=N7)C8=CC=C(C=C8)CN(CC(=O)O)C(=O)C9=CC=C(C=C9)NC(=O)CC1=C(C=C(C=C1)OC)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations