Geometry & MOs

Info

ID:

441653

PubChem CID:

135238693

Reduced:

F2N4O7C31H40 (1)

Stoich.:

A2B4C7D31E40 (1)

Weight, g/mol:

365.195071

ΔHf, kcal/mol:

-356.04

Dipole, Da:

7.35

IP(EA), eV:

 -9.14(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

amino 2-[(E)-[3-(4-ethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino]oxyacetate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CN=CN1)C(=O)O[C@@H]2C[C@@H]([C@@H]([C@H]2/C=C/C(COC3=CC=CC=C3)(F)F)C/C=C\CCCC(=O)O)O)N

DOS

IR

Vibrations