Geometry & MOs

Info

ID:	351099
PubChem CID:	127279657
Reduced:	S2O3N4C11H16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-56.47
Dipole, Da:	7.55
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(S2)S(=O)(=O)CC(=O)N3CCC3

DOS

IR

Vibrations