Geometry & MOs

Info

ID:

433351

PubChem CID:

135173488

Reduced:

N2O3C17H20 (1)

Stoich.:

A2B3C17D20 (1)

Weight, g/mol:

577.272276

ΔHf, kcal/mol:

-72.26

Dipole, Da:

2.06

IP(EA), eV:

 -9.77(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N'-[[4-[(Z)-2-(ethylideneamino)-1-sulfanylprop-1-enyl]phenyl]methyl]-4-hydroxy-N-methoxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboximidamide

Drug info:

PubChemData

Smile

CN(C1CCC(=O)NC12COC2)C(=O)C3=CC=CC=C3C=C

DOS

IR

Vibrations