Geometry & MOs

Info

ID:	336168
PubChem CID:	127255175
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	490.131091
ΔH_f, kcal/mol:	-126.65
Dipole, Da:	2.43
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CCN(CC2C1)C(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O)O

DOS

IR

Vibrations