Geometry & MOs

Info

ID:

45143

PubChem CID:

10508357

Reduced:

KSO7C34H49 (1)

Stoich.:

ABC7D34E49 (1)

Weight, g/mol:

640.255144

ΔHf, kcal/mol:

-390.47

Dipole, Da:

13.65

IP(EA), eV:

 -9.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

C[C@H](CC[C@H](C(C)C)OS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)OC(=O)C5=CC=CC=C5)C.[K+]

DOS

IR

Vibrations