Geometry & MOs

Info

ID:	420639
PubChem CID:	135114529
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	0.94
IP(EA), eV:	-9.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-methyl-7-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NOC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations