Geometry & MOs

Info

ID:	40835
PubChem CID:	8144791
Reduced:	SO2N4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825894
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-3-[(4-benzylpiperidin-1-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)[NH2+]CC(=O)NC

DOS

IR

Vibrations