Geometry & MOs

Info

ID:	417858
PubChem CID:	135102917
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-82.2
Dipole, Da:	10.07
IP(EA), eV:	-9.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindol-3-yl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations