Geometry & MOs

Info

ID:

442067

PubChem CID:

135248990

Reduced:

PN2S2O13C26H35 (1)

Stoich.:

AB2C2D13E26F35 (1)

Weight, g/mol:

744.267429

ΔHf, kcal/mol:

-530.82

Dipole, Da:

3.05

IP(EA), eV:

 -9.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,16-bis(4-tert-butylphenyl)-3,3,4,4,5,5-hexafluoro-11,21-dimethoxy-14,18-dioxahexacyclo[15.7.0.02,6.07,15.08,13.019,24]tetracosa-1(17),2(6),7(15),8(13),9,11,19(24),20,22-nonaene

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(OC)OCC(COCSSC(C)C)(C(=O)OCC#C)C(=O)OCC#C

DOS

IR

Vibrations