Geometry & MOs

Info

ID:	142053
PubChem CID:	52973463
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	401.206304
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	7.02
IP(EA), eV:	-9.57(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxo-4a,5,6,7,8,8a-hexahydro-3H-phthalazin-2-yl)-N-(6-morpholin-4-ylpyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations