Geometry & MOs

Info

ID:

225296

PubChem CID:

85756446

Reduced:

SN2O3C22H32 (1)

Stoich.:

AB2C3D22E32 (1)

Weight, g/mol:

1184.475545

ΔHf, kcal/mol:

-111.49

Dipole, Da:

5.74

IP(EA), eV:

-9.0(-0.96)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5,11,23,29-tetrachloro-8,26-bis(4-dodecylphenyl)-2,4,6,8,10,12,14,20,22,24,26,28,30,32,38,39,41,42-octadecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9,11,13(41),15(40),16,18,21(39),22,24,27,29,31(38),33,35-octadecaene

Drug info:

PubChemData

Smile

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCCCC(=O)O

DOS

IR

Vibrations