Geometry & MOs

Info

ID:

176564

PubChem CID:

76066385

Reduced:

SN5O15C59H99 (1)

Stoich.:

AB5C15D59E99 (1)

Weight, g/mol:

508.236208

ΔHf, kcal/mol:

-817.61

Dipole, Da:

9.46

IP(EA), eV:

 -9.24(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-(cyclopropylmethyl)-15-(2-hydroxyethyl)-18-oxa-15,26-diazaoctacyclo[17.9.1.01,17.02,25.04,16.05,14.08,13.023,29]nonacosa-4(16),5(14),6,8,10,12,19,21,23(29)-nonaene-2,20-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC(CCC(=O)O)(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations