Geometry & MOs

Info

ID:

147287

PubChem CID:

53786942

Reduced:

N2F3O3H15C17 (1)

Stoich.:

A2B3C3D15E17 (1)

Weight, g/mol:

549.228222

ΔHf, kcal/mol:

-187.84

Dipole, Da:

6.15

IP(EA), eV:

 -9.3(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[(2R,3R,4R,5R)-5-acetamido-1,2,3-trihydroxy-6-oxoheptan-4-yl]oxycarbonylamino]butanoylamino]-5-amino-5-oxopentanoyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1(N=C(C2=C(O1)C=CC(=C2)C(F)(F)F)C3=C(C=CC=[N+]3[O-])OC)C

DOS

IR

Vibrations