Geometry & MOs

Info

ID:	418277
PubChem CID:	135104045
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	383.175753
ΔH_f, kcal/mol:	-50.0
Dipole, Da:	6.24
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-(5-fluoropyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CO4)CO

DOS

IR

Vibrations