Geometry & MOs

Info

ID:

328244

PubChem CID:

126700363

Reduced:

O5C22H26 (1)

Stoich.:

A5B22C26 (1)

Weight, g/mol:

781.440107

ΔHf, kcal/mol:

-188.48

Dipole, Da:

5.16

IP(EA), eV:

 -9.62(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2S)-5-[3-[(11R,12R,21S,22S)-16-acetyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoylamino]-1-hydrazinyl-1-oxopentan-2-yl]-trimethylazanium

Drug info:

PubChemData

Smile

CCCC1=CC(=CC(=C1O[C@@H](C2=CC=CC=C2)C(=O)O)CCC)C(=O)OC

DOS

IR

Vibrations