Geometry & MOs

Info

ID:

376832

PubChem CID:

134222859

Reduced:

NOC6H9 (3)

Stoich.:

ABC6D9 (3)

Weight, g/mol:

584.254732

ΔHf, kcal/mol:

-70.39

Dipole, Da:

6.69

IP(EA), eV:

 -8.61(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-[(1E)-1-(methyldiazenyl)buta-1,3-dien-2-yl]indol-1-yl]acetyl]-N-(2-ethyl-3-oxo-1H-isoindol-5-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(C1C=C)N(C)/N=C\C=C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations