Geometry & MOs

Info

ID:

83223

PubChem CID:

49857304

Reduced:

BClN2O4C34H44 (1)

Stoich.:

ABC2D4E34F44 (1)

Weight, g/mol:

382.326707

ΔHf, kcal/mol:

-123.88

Dipole, Da:

4.52

IP(EA), eV:

 -6.17(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3aR,4S,7aR)-1-[(2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC4CCCCC4)NC(=O)CC(C5=CC(=CC=C5)Cl)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations