Geometry & MOs

Info

ID:	335663
PubChem CID:	127254525
Reduced:	SN3O3H15C22 (1)
Stoich.:	AB3C3D15E22 (1)
Weight, g/mol:	467.159354
ΔH_f, kcal/mol:	-7.14
Dipole, Da:	3.25
IP(EA), eV:	-8.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC(=O)NC5=NC=CS5

DOS

IR

Vibrations