Geometry & MOs

Info

ID:	421120
PubChem CID:	135115403
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	314.110042
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	6.6
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(4-fluorophenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations