Geometry & MOs

Info

ID:	369646
PubChem CID:	127334976
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	5.37
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(pyridin-3-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations