Geometry & MOs

Info

ID:	418204
PubChem CID:	135103868
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	6.64
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CNC1=NC(=CS1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations