Geometry & MOs

Info

ID:	218642
PubChem CID:	85089742
Reduced:	SnO2C24H50 (1)
Stoich.:	AB2C24D50 (1)
Weight, g/mol:	489.164833
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	3.3
IP(EA), eV:	-8.19(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3-amino-1-oxo-10bH-benzo[f]quinazolin-9-yl)methylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(C=COC(C)CC(C)O)C(C)(C)C

DOS

IR

Vibrations