Geometry & MOs

Info

ID:	423934
PubChem CID:	135120799
Reduced:	N2S3O5C15H20 (1)
Stoich.:	A2B3C5D15E20 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	8.11
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations