Geometry & MOs

Info

ID:

225687

PubChem CID:

87225360

Reduced:

O3N4C17H22 (2)

Stoich.:

A3B4C17D22 (2)

Weight, g/mol:

408.195548

ΔHf, kcal/mol:

-173.01

Dipole, Da:

8.51

IP(EA), eV:

 -8.35(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-formyl-4-(2-methoxyethoxymethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)N(C)CCOCCOCCNC

DOS

IR

Vibrations