Geometry & MOs

Info

ID:

334597

PubChem CID:

127253272

Reduced:

SN2O4C19H21 (2)

Stoich.:

AB2C4D19E21 (2)

Weight, g/mol:

487.174336

ΔHf, kcal/mol:

-208.67

Dipole, Da:

6.62

IP(EA), eV:

 -8.43(-0.99)

Spin(Sz, 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-(4-hydroxyphenyl)ethyl]acetamide

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=NC(=C(S4)CC5=CC=CC=C5)C(=O)OC)OC)OC)OC

DOS

IR

Vibrations