Geometry & MOs

Info

ID:	415289
PubChem CID:	135088281
Reduced:	S2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	3.03
IP(EA), eV:	-9.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CS1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations