Geometry & MOs

Info

ID:	420513
PubChem CID:	135113544
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	5.12
IP(EA), eV:	-8.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(4-propan-2-ylphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CSC2=CC=CC(=C2)OC

DOS

IR

Vibrations