Geometry & MOs

Info

ID:	427204
PubChem CID:	135156111
Reduced:	ClO5N6C38H41 (1)
Stoich.:	AB5C6D38E41 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	6.98
IP(EA), eV:	-8.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)azepane-2,7-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC3=C(C=C2)OC(=N3)N4CCN(CC4)C)COC5=C(C=C(C(=C5)OCC6=CC(=CN=C6)C#N)CN(C)C(CO)CO)Cl

DOS

IR

Vibrations