Geometry & MOs

Info

ID:

186660

PubChem CID:

77464150

Reduced:

FS2N4O4C28H33 (1)

Stoich.:

AB2C4D4E28F33 (1)

Weight, g/mol:

546.236601

ΔHf, kcal/mol:

-131.14

Dipole, Da:

3.12

IP(EA), eV:

 -8.57(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-hydroxy-2-methylbutan-2-yl)oxycarbonyloxy-3,5-dimethylphenyl]methyl 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C=C(NS(=O)(=O)C1C2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)NC(CCO)C5=CC=CC=C5F)C

DOS

IR

Vibrations