Geometry & MOs

Info

ID:	416171
PubChem CID:	135089180
Reduced:	SO2N6C14H24 (1)
Stoich.:	AB2C6D14E24 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	5.87
IP(EA), eV:	-8.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations