Geometry & MOs

Info

ID:

1600

PubChem CID:

4752

Reduced:

SN8O11C35H48 (1)

Stoich.:

AB8C11D35E48 (1)

Weight, g/mol:

788.316326

ΔHf, kcal/mol:

-478.0

Dipole, Da:

5.4

IP(EA), eV:

 -8.7(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

Drug info:

PubChemData

Smile

CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O

DOS

IR

Vibrations