Geometry & MOs

Info

ID:

449427

PubChem CID:

135298505

Reduced:

N3O8C15H19 (1)

Stoich.:

A3B8C15D19 (1)

Weight, g/mol:

1160.59285

ΔHf, kcal/mol:

-282.17

Dipole, Da:

1.81

IP(EA), eV:

-10.02(-0.71)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

bis(2-ethylhexyl) 5-[[3-[[3,5-bis(2-ethylhexoxycarbonyl)phenoxy]methyl]-8-methyl-6-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl]methoxy]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)NC(CC/C(=C/[N+]#N)/[O-])C(=O)OC(C)C

DOS

IR

Vibrations