Geometry & MOs

Info

ID:	417981
PubChem CID:	135103213
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-169.25
Dipole, Da:	4.98
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations