Geometry & MOs

Info

ID:	334067
PubChem CID:	127252619
Reduced:	SN6O7C30H38 (1)
Stoich.:	AB6C7D30E38 (1)
Weight, g/mol:	486.153934
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	8.15
IP(EA), eV:	-8.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NC4=NNC(=N4)COC)OC)OC)OC

DOS

IR

Vibrations