Geometry & MOs

Info

ID:

405039

PubChem CID:

135072257

Reduced:

N2Si3O7C57H94 (1)

Stoich.:

A2B3C7D57E94 (1)

Weight, g/mol:

271.1606

ΔHf, kcal/mol:

-399.54

Dipole, Da:

5.57

IP(EA), eV:

 -8.23(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE,R)-2-methyl-N-[4-(2-oxocyclohexyl)butylidene]propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)[C@H]([C@@H](C)[C@H](C/C=C/C=C)OC(=O)C1(CC1)NC(=O)C2=CCCCC2)/C(=C\CCC3=C(C(=CC(=C3)O[Si](CC)(CC)CC)NC(=O)C[C@H](/C=C/C=C)OC)O[Si](CC)(CC)CC)/C

DOS

IR

Vibrations