Geometry & MOs

Info

ID:

59621

PubChem CID:

24890539

Reduced:

ClO2F3N4C26H30 (1)

Stoich.:

AB2C3D4E26F30 (1)

Weight, g/mol:

1451.281023

ΔHf, kcal/mol:

-185.97

Dipole, Da:

7.49

IP(EA), eV:

 -8.63(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-[(21E)-30-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCNC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=NN3C)Cl

DOS

IR

Vibrations