Geometry & MOs

Info

ID:	336296
PubChem CID:	127255303
Reduced:	ClSN4O6H17C27 (1)
Stoich.:	ABC4D6E17F27 (1)
Weight, g/mol:	437.148789
ΔH_f, kcal/mol:	19.85
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-2.42)
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-(2-methyl-3H-benzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)Cl)C(=O)/C(=C/C6=CC(=C(C(=C6)[N+](=O)[O-])O)[N+](=O)[O-])/S4

DOS

IR

Vibrations