Geometry & MOs

Info

ID:

223195

PubChem CID:

85334665

Reduced:

SN15O17C57H97 (1)

Stoich.:

AB15C17D57E97 (1)

Weight, g/mol:

1297.818046

ΔHf, kcal/mol:

-822.04

Dipole, Da:

8.68

IP(EA), eV:

 -8.44(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

33-[5-(3-chlorophenyl)-1-hydroxy-2-methylpent-4-enyl]-30-ethyl-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

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C4CCCN4C(=O)C(C(C)O)N

DOS

IR

Vibrations