Geometry & MOs

Info

ID:	423344
PubChem CID:	135119336
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-176.89
Dipole, Da:	10.23
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations