Geometry & MOs

Info

ID:

190975

PubChem CID:

78088987

Reduced:

FO2N4H23C25 (1)

Stoich.:

AB2C4D23E25 (1)

Weight, g/mol:

1571.676666

ΔHf, kcal/mol:

-26.23

Dipole, Da:

3.9

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[2-[[2-[(13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl)oxy]acetyl]amino]ethylamino]propanoylamino]methyl]-16-(3-amino-1,2-dihydroxy-3-oxopropyl)-9-hydroxy-13-(1-hydroxyethyl)-22-(hydroxymethyl)-2,5,8,12,15,18,21-heptaoxo-19-propan-2-yl-1,4,7,11,14,17-hexazacyclodocosane-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3)C4=NC5=C(O4)C=CC=C5F

DOS

IR

Vibrations