Geometry & MOs

Info

ID:	167235
PubChem CID:	74796651
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	7.21
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-5-oxo-1,2,4-triazinan-6-yl]-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3NC(=O)C(NN3)CCC(=O)NCCC4=CC=CS4

DOS

IR

Vibrations