Geometry & MOs

Info

ID:	176506
PubChem CID:	76061777
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	411.99538
ΔH_f, kcal/mol:	-174.64
Dipole, Da:	3.22
IP(EA), eV:	-9.3(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodoacetyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid

Drug info:

PubChemData

Smile

CN1C2CC(C3C(C(CN3C2N(C1=O)C)O)O)O

DOS

IR

Vibrations