Geometry & MOs

Info

ID:

215738

PubChem CID:

85085169

Reduced:

O9N33C50H101 (1)

Stoich.:

A9B33C50D101 (1)

Weight, g/mol:

1307.865475

ΔHf, kcal/mol:

-363.33

Dipole, Da:

10.46

IP(EA), eV:

 -8.98(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

32-benzylsulfanyl-15-ethyl-18-(1-hydroxy-2-methylhex-4-enyl)-4,10,13,19,22,25,28,30,33-nonamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-31-ene-2,5,8,11,14,17,20,23,26,29-decone

Drug info:

PubChemData

Smile

CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations