Geometry & MOs

Info

ID:	195618
PubChem CID:	78712842
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	4.44
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations