Geometry & MOs

Info

ID:

327086

PubChem CID:

126688973

Reduced:

OF5N5H22C29 (1)

Stoich.:

AB5C5D22E29 (1)

Weight, g/mol:

640.274443

ΔHf, kcal/mol:

-121.14

Dipole, Da:

5.8

IP(EA), eV:

 -9.31(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2S)-2-[4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoyl]oxypropanoyl]oxypropanoic acid

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations