Geometry & MOs

Info

ID:

327033

PubChem CID:

126688897

Reduced:

OF4N6H28C30 (1)

Stoich.:

AB4C6D28E30 (1)

Weight, g/mol:

712.295573

ΔHf, kcal/mol:

-82.72

Dipole, Da:

5.19

IP(EA), eV:

 -9.06(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(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]oxypropanoyl]oxypropanoic acid

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)F)NC(C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)O

DOS

IR

Vibrations