Geometry & MOs

Info

ID:	368876
PubChem CID:	127330846
Reduced:	SO4N6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	8.16
IP(EA), eV:	-9.33(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN1C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations