Geometry & MOs

Info

ID:

317385

PubChem CID:

126636955

Reduced:

SF2O2N7C19H21 (1)

Stoich.:

AB2C2D7E19F21 (1)

Weight, g/mol:

1201.841368

ΔHf, kcal/mol:

-47.32

Dipole, Da:

8.62

IP(EA), eV:

 -8.51(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,15S,18S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CN=C(N)NS(=O)C1=NC2=CN(C=C2C=N1)[C@@H]3C[C@@H](C(OC3)C4=C(C=CC(=C4)F)F)N

DOS

IR

Vibrations