Geometry & MOs

Info

ID:

223183

PubChem CID:

85334649

Reduced:

S2O11N15C61H99 (1)

Stoich.:

A2B11C15D61E99 (1)

Weight, g/mol:

1281.847596

ΔHf, kcal/mol:

-508.08

Dipole, Da:

14.84

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

30-ethyl-33-[5-(4-fluorophenyl)-1-hydroxy-2-methylpent-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CCCCCCNC(=NCCCCCC)NCCCCC(C(=O)NCC(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N)N

DOS

IR

Vibrations