Geometry & MOs

Info

ID:

220058

PubChem CID:

85165195

Reduced:

N2O2C20H21 (2)

Stoich.:

A2B2C20D21 (2)

Weight, g/mol:

642.388017

ΔHf, kcal/mol:

9.58

Dipole, Da:

4.15

IP(EA), eV:

 -8.79(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 1-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]-3,4-diethylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C#CC#CC5CN6CCC5CC6C(C7=C8C=C(C=CC8=NC=C7)OC)O)O

DOS

IR

Vibrations