Geometry & MOs

Info

ID:

229738

PubChem CID:

87568743

Reduced:

SN4O5C24H24 (1)

Stoich.:

AB4C5D24E24 (1)

Weight, g/mol:

550.237389

ΔHf, kcal/mol:

-99.98

Dipole, Da:

5.66

IP(EA), eV:

 -8.93(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5,5-tris(hydroxymethyl)-6-[2-(2-methylprop-2-enoylperoxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-eneperoxoate

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N=C(S2)OC3=CC4=C(C=C3)C(=CO4)CN5CCC(CC5)NC(=O)COC=O

DOS

IR

Vibrations