Geometry & MOs

Info

ID:	345851
PubChem CID:	127270151
Reduced:	SO2N6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	3.41
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations