Geometry & MOs

Info

ID:

218751

PubChem CID:

85089907

Reduced:

O3N7C27H35 (1)

Stoich.:

A3B7C27D35 (1)

Weight, g/mol:

503.207466

ΔHf, kcal/mol:

-25.65

Dipole, Da:

9.67

IP(EA), eV:

 -9.26(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-[3-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]propyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)CN3C(=O)C4C(N=C(N4CC=C(C)C)N5CCCC(C5)N)N(C3=O)C

DOS

IR

Vibrations