Geometry & MOs

Info

ID:	336037
PubChem CID:	127255044
Reduced:	ON8C12H20 (1)
Stoich.:	AB8C12D20 (1)
Weight, g/mol:	447.136511
ΔH_f, kcal/mol:	63.4
Dipole, Da:	5.33
IP(EA), eV:	-9.62(-0.69)
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-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NC1=NNC(=N1)C(C)C)N2C=NN=N2

DOS

IR

Vibrations