Geometry & MOs

Info

ID:

222093

PubChem CID:

85293931

Reduced:

N2O5H28C35 (1)

Stoich.:

A2B5C28D35 (1)

Weight, g/mol:

562.258006

ΔHf, kcal/mol:

-47.97

Dipole, Da:

2.75

IP(EA), eV:

 -8.93(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[(2,4-dioxo-3-phenyl-1-propan-2-yl-1,3-diazinan-5-ylidene)methyl]phenyl]methylidene]-3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=CC=CC=C1)N2CC2)NC(=O)C(C3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations