Geometry & MOs

Info

ID:	307569
PubChem CID:	125307542
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-175.78
Dipole, Da:	3.79
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC[C@@H]3CCCN4[C@H]3CCCC4

DOS

IR

Vibrations