Geometry & MOs

Info

ID:	334281
PubChem CID:	127252833
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	419.126991
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	4.99
IP(EA), eV:	-8.3(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-oxoquinazolin-3-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCSCCO)OC

DOS

IR

Vibrations