Geometry & MOs

Info

ID:	186505
PubChem CID:	77439299
Reduced:	ClO3N6C29H39 (1)
Stoich.:	AB3C6D29E39 (1)
Weight, g/mol:	143.040485
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	6.46
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)NC2=CN=C(C=C2)N(CCC3CC3C4CCN(CC4)C5=NC=C(C=N5)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations