Geometry & MOs

Info

ID:	335746
PubChem CID:	127254608
Reduced:	S2O4N6C19H22 (1)
Stoich.:	A2B4C6D19E22 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	9.32
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CC(C2=CSC=C2)N3C=NN=N3)N4CCCCS4(=O)=O

DOS

IR

Vibrations