Geometry & MOs

Info

ID:	416944
PubChem CID:	135090842
Reduced:	ClSN2O2C20H29 (1)
Stoich.:	ABC2D2E20F29 (1)
Weight, g/mol:	316.079012
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	4.4
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSCC(=O)N1CCC[C@]2([C@H]1CN(CC2)CC3=CC(=CC=C3)Cl)CO

DOS

IR

Vibrations