Geometry & MOs

Info

ID:	322076
PubChem CID:	126668515
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	8.53
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,6S,8S)-4-(5-fluoropyridine-2-carbonyl)-4,9-diazatricyclo[4.3.1.03,8]decan-2-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)S(=O)(=O)NC3=NN=CC=C3)OC1

DOS

IR

Vibrations