Geometry & MOs

Info

ID:	418479
PubChem CID:	135105104
Reduced:	SF2N2O3C16H22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	364.070463
ΔH_f, kcal/mol:	-205.53
Dipole, Da:	3.56
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F)CO

DOS

IR

Vibrations