Geometry & MOs

Info

ID:

50334

PubChem CID:

12012855

Reduced:

NSiS2O3C30H55 (1)

Stoich.:

ABC2D3E30F55 (1)

Weight, g/mol:

625.401864

ΔHf, kcal/mol:

-228.23

Dipole, Da:

2.51

IP(EA), eV:

 -8.67(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dicyclohexyl-1-[(1R,2R,4R)-4,7,7-trimethyl-2-[1-tri(propan-2-yl)silyloxyethenylsulfanyl]-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1([C@@H](C2)SC(=C)O[Si](C)(C)C(C)(C)C)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C

DOS

IR

Vibrations