Geometry & MOs

Info

ID:

160938

PubChem CID:

57390307

Reduced:

SN4O4C15H16 (1)

Stoich.:

AB4C4D15E16 (1)

Weight, g/mol:

1040.615785

ΔHf, kcal/mol:

-102.29

Dipole, Da:

7.73

IP(EA), eV:

 -9.32(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,11R,15S,18S,20Z,23S,26S,28R)-3-(3-aminopropyl)-18-(hexadecanoylamino)-11,28-dihydroxy-15-[(1R)-1-hydroxyethyl]-6-[2-(4-hydroxyphenyl)ethyl]-2,5,8,14,17,25-hexaoxo-1,4,7,13,16,24-hexazatricyclo[24.3.0.09,13]nonacos-20-ene-23-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

DOS

IR

Vibrations