Geometry & MOs

Info

ID:

178280

PubChem CID:

76307728

Reduced:

O5N9C21H25 (1)

Stoich.:

A5B9C21D25 (1)

Weight, g/mol:

494.237664

ΔHf, kcal/mol:

-73.36

Dipole, Da:

7.41

IP(EA), eV:

 -9.68(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 3-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3NC(=O)CN4C=NN=N4)C

DOS

IR

Vibrations