Geometry & MOs

Info

ID:	431142
PubChem CID:	135171212
Reduced:	NS2O6C15H21 (1)
Stoich.:	AB2C6D15E21 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-258.79
Dipole, Da:	6.94
IP(EA), eV:	-9.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCOC(=O)C1CC(=O)SC1)CCOC(=O)C2CC(=O)SC2

DOS

IR

Vibrations