Geometry & MOs

Info

ID:	140532
PubChem CID:	52716145
Reduced:	SCl2N2O3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	6.54
IP(EA), eV:	-9.22(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[(1S)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)N

DOS

IR

Vibrations