Geometry & MOs

Info

ID:

324916

PubChem CID:

126678620

Reduced:

N3S3O6C31H47 (1)

Stoich.:

A3B3C6D31E47 (1)

Weight, g/mol:

605.226314

ΔHf, kcal/mol:

-269.62

Dipole, Da:

8.63

IP(EA), eV:

 -8.28(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,6R,9S,12R,13S)-12-butan-2-yl-9-[(but-3-enyldisulfanyl)methyl]-2-methyl-6-(2-methylsulfanylethyl)-4,7,10,15-tetraoxo-1-oxa-5,8,11-triazacyclopentadec-13-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1[C@H](CC(=O)O[C@@H](CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CSSCCC=C)CCSC)C)OCC2=CC=CC=C2

DOS

IR

Vibrations