Geometry & MOs

Info

ID:

215313

PubChem CID:

85084530

Reduced:

SN8O10C37H60 (1)

Stoich.:

AB8C10D37E60 (1)

Weight, g/mol:

808.615832

ΔHf, kcal/mol:

-490.59

Dipole, Da:

3.51

IP(EA), eV:

 -8.53(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,15,31,32-tetrahexyl-35,36-dioxadecacyclo[26.6.1.111,18.02,27.04,25.06,23.08,21.010,19.012,17.029,34]hexatriaconta-4(25),6(23),8(21),12(17),13,15,29(34),30,32-nonaene

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations