Geometry & MOs

Info

ID:

313337

PubChem CID:

126613886

Reduced:

SO3N6C8H26 (1)

Stoich.:

AB3C6D8E26 (1)

Weight, g/mol:

710.377846

ΔHf, kcal/mol:

-126.36

Dipole, Da:

3.01

IP(EA), eV:

 -8.83(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[2-[2-methoxy-4-[(2E,7E)-8-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-3,7-dimethyl-4,6-dioxonona-2,7-dien-2-yl]phenoxy]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C(CNCCNCCNCCN)N.NS(=O)(=O)O

DOS

IR

Vibrations