Geometry & MOs

Info

ID:

145062

PubChem CID:

53453509

Reduced:

SN2O5H15C19 (1)

Stoich.:

AB2C5D15E19 (1)

Weight, g/mol:

408.11956

ΔHf, kcal/mol:

-39.65

Dipole, Da:

1.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.102353

Charge, e:

 -1

Chem-info

IUPAC name:

4-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enylamino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC(=CC=C3)C(=O)[O-]

DOS

IR

Vibrations