Geometry & MOs

Info

ID:	334681
PubChem CID:	127253356
Reduced:	ClSN2O7C18H21 (1)
Stoich.:	ABC2D7E18F21 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-248.23
Dipole, Da:	7.75
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCS(=O)(=O)N

DOS

IR

Vibrations