Geometry & MOs

Info

ID:	418362
PubChem CID:	135104325
Reduced:	ClSN2O3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-118.92
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(methylamino)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CO

DOS

IR

Vibrations