Geometry & MOs

Info

ID:

432418

PubChem CID:

135172551

Reduced:

F3O8H33C35 (1)

Stoich.:

A3B8C33D35 (1)

Weight, g/mol:

1809.866992

ΔHf, kcal/mol:

-375.56

Dipole, Da:

3.56

IP(EA), eV:

 -8.79(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5S,8S,11S,17S,20S,23S,26S,32S,35S,38S,41R)-41-[(2-amino-2-oxoethyl)carbamoyl]-5,8,23-tribenzyl-11-butyl-35-[2-(4-hydroxyphenyl)ethyl]-26-[(4-hydroxyphenyl)methyl]-32-(1H-indol-3-ylmethyl)-7,10,13,22,28-pentamethyl-38-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxo-20-propan-2-yl-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecazacyclodotetracont-17-yl]acetic acid

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations