Geometry & MOs

Info

ID:

388119

PubChem CID:

134988225

Reduced:

SO2C11H14 (1)

Stoich.:

AB2C11D14 (1)

Weight, g/mol:

630.249172

ΔHf, kcal/mol:

-62.92

Dipole, Da:

2.22

IP(EA), eV:

-9.24(-0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

24,25-di(propan-2-yloxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CC1=CC(C(C1=O)C(=O)SC)C(=C)C

DOS

IR

Vibrations