Geometry & MOs

Info

ID:	335816
PubChem CID:	127254678
Reduced:	SO2N7C20H23 (1)
Stoich.:	AB2C7D20E23 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	56.02
Dipole, Da:	6.83
IP(EA), eV:	-8.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=C(NC3=C2C=C(C=C3)OC)C)N4C=NN=N4

DOS

IR

Vibrations