Geometry & MOs

Info

ID:

313339

PubChem CID:

126613892

Reduced:

N2O10C37H50 (1)

Stoich.:

A2B10C37D50 (1)

Weight, g/mol:

682.346546

ΔHf, kcal/mol:

-386.91

Dipole, Da:

6.84

IP(EA), eV:

 -8.36(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-methoxy-4-[(1E,6E)-7-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2,6-dimethyl-3,5-dioxohepta-1,6-dienyl]phenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=C(C=C1)OCCNC(=O)OC(C)(C)C)OC)/C(=O)CC(=O)/C(=C/C2=CC(=C(C=C2)OCCN(C(=O)O)C(C)(C)C)OC)/C

DOS

IR

Vibrations