Geometry & MOs

Info

ID:

319013

PubChem CID:

126654148

Reduced:

F3N5O5H16C24 (1)

Stoich.:

A3B5C5D16E24 (1)

Weight, g/mol:

506.227768

ΔHf, kcal/mol:

-145.55

Dipole, Da:

8.46

IP(EA), eV:

 -9.17(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[3-[[(1S,2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]cyclopentyl]oxymethyl]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)NC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations