Geometry & MOs

Info

ID:

45210

PubChem CID:

10509451

Reduced:

SeSiO5C44H64 (1)

Stoich.:

ABC5D44E64 (1)

Weight, g/mol:

790.401375

ΔHf, kcal/mol:

-245.61

Dipole, Da:

6.5

IP(EA), eV:

 -8.55(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2([C@H]([C@H]2C(=O)CCC3=CC=CC=C3)[C@@H]([Si](C)(C)C)[Se]C4=CC=CC=C4)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(C)C

DOS

IR

Vibrations