Geometry & MOs

Info

ID:

14076

PubChem CID:

403575

Reduced:

N3O5H29C35 (1)

Stoich.:

A3B5C29D35 (1)

Weight, g/mol:

571.210721

ΔHf, kcal/mol:

-54.09

Dipole, Da:

7.39

IP(EA), eV:

 -8.62(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[3-anthracen-9-yl-5-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)CC4=CC=C(C=C4)CC(=O)N)C5=C6C=CC=CC6=CC7=CC=CC=C75

DOS

IR

Vibrations