Geometry & MOs

Info

ID:	345859
PubChem CID:	127270159
Reduced:	SO2N6C14H22 (1)
Stoich.:	AB2C6D14E22 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	9.38
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CN3C=NN=N3

DOS

IR

Vibrations