Geometry & MOs

Info

ID:

315690

PubChem CID:

126628577

Reduced:

NSO5C25H43 (1)

Stoich.:

ABC5D25E43 (1)

Weight, g/mol:

887.315608

ΔHf, kcal/mol:

-289.67

Dipole, Da:

4.53

IP(EA), eV:

 -9.34(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5S,7S,8S)-2,2,5,8-tetramethyl-9-oxo-9-[[(2R)-5-oxo-1-tritylsulfanylhexan-2-yl]amino]-7-(2,2,2-trichloroethoxycarbonyloxy)nonan-3-yl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(C)(C)C1=N[C@H](CS1)CCC(=O)O)O)CC(C(C)(C)C)OC(=O)C2CCCC2

DOS

IR

Vibrations