Geometry & MOs

Info

ID:

335184

PubChem CID:

127254045

Reduced:

N4O5C27H28 (1)

Stoich.:

A4B5C27D28 (1)

Weight, g/mol:

551.253255

ΔHf, kcal/mol:

-162.67

Dipole, Da:

5.52

IP(EA), eV:

 -8.39(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C5C(=CC=C4)CCCN5C3=O)O

DOS

IR

Vibrations