Geometry & MOs

Info

ID:	369683
PubChem CID:	127335015
Reduced:	N2S2O4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	2.16
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations