Geometry & MOs

Info

ID:	221910
PubChem CID:	85292657
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	3.9
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(1-oxido-6-propyl-2,3,4,5-tetrahydropyridin-1-ium-2-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)C(N(C(=O)C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations