Geometry & MOs

Info

ID:

313335

PubChem CID:

126613883

Reduced:

NO6C20H27 (1)

Stoich.:

AB6C20D27 (1)

Weight, g/mol:

741.347274

ΔHf, kcal/mol:

-236.48

Dipole, Da:

5.46

IP(EA), eV:

 -8.66(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(1E,6E)-7-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-4-methyl-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]ethylcarbamic acid

Drug info:

PubChemData

Smile

CC(=O)CC(=O)/C=C/C1=CC(=C(C=C1)OCCNC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations