Geometry & MOs

Info

ID:

445867

PubChem CID:

135269838

Reduced:

SO2N5C26H29 (1)

Stoich.:

AB2C5D26E29 (1)

Weight, g/mol:

622.252645

ΔHf, kcal/mol:

56.48

Dipole, Da:

5.39

IP(EA), eV:

 -8.46(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-phenoxy-1-prop-2-enoyloxyethyl) 1,5-dimethyl-3-[(1-phenoxy-2-prop-2-enoyloxyethoxy)carbonylamino]-6-azabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)C2C=C(ON2C)C3=NC(=CN=C3N)C4=CC=C(C=C4)SC5CCOC5

DOS

IR

Vibrations