Geometry & MOs

Info

ID:	234703
PubChem CID:	92303346
Reduced:	NO7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	343.192963
ΔH_f, kcal/mol:	-258.86
Dipole, Da:	3.29
IP(EA), eV:	-10.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-hydroxyhexyl)pentanamide

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)N(CC(=O)O)CC(=O)O)C(=O)O

DOS

IR

Vibrations