Geometry & MOs

Info

ID:

215219

PubChem CID:

85084381

Reduced:

SF3O14C34H41 (1)

Stoich.:

AB3C14D34E41 (1)

Weight, g/mol:

762.300859

ΔHf, kcal/mol:

-686.21

Dipole, Da:

7.04

IP(EA), eV:

 -9.93(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[2-ethyl-2-[(1-methylsulfonyloxy-3,3-diphenylbutan-2-yl)carbamoyl]butanoyl]amino]-3,3-diphenylbutyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)O)OC(=O)C

DOS

IR

Vibrations