Geometry & MOs

Info

ID:	418436
PubChem CID:	135104773
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	3.59
IP(EA), eV:	-9.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(N=CC=C2)OC

DOS

IR

Vibrations