Geometry & MOs

Info

ID:	422601
PubChem CID:	135118114
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	298.088434
ΔH_f, kcal/mol:	-196.22
Dipole, Da:	4.78
IP(EA), eV:	-9.28(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations