Geometry & MOs

Info

ID:

168729

PubChem CID:

75009662

Reduced:

Cl2O3N5C16H21 (1)

Stoich.:

A2B3C5D16E21 (1)

Weight, g/mol:

1199.825718

ΔHf, kcal/mol:

-77.37

Dipole, Da:

1.31

IP(EA), eV:

 -9.43(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,15,19,25,28-octamethyl-12-methylidene-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

C1=CC(=C(C=C1CNC2NC3C(C(=O)N2)N(C=N3)CCOCCO)Cl)Cl

DOS

IR

Vibrations