Geometry & MOs

Info

ID:

51951

PubChem CID:

12014722

Reduced:

SO2C13H18 (1)

Stoich.:

AB2C13D18 (1)

Weight, g/mol:

646.449829

ΔHf, kcal/mol:

-90.22

Dipole, Da:

3.18

IP(EA), eV:

 -8.85(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,16R,26R)-6,8,21,23-tetratert-butyl-3,13,16,26-tetramethyl-4,25-dioxa-11,18-diazaheptacyclo[14.10.2.02,15.03,12.05,10.017,26.019,24]octacosa-5,7,9,11,13,17,19,21,23,27-decaene

Drug info:

PubChemData

Smile

CC(C)([C@H]1CCC2=C([C@H]1O)C=CC=C2O)S

DOS

IR

Vibrations