Geometry & MOs

Info

ID:

144264

PubChem CID:

53340136

Reduced:

SO2N4C28H36 (1)

Stoich.:

AB2C4D28E36 (1)

Weight, g/mol:

691.217521

ΔHf, kcal/mol:

-45.45

Dipole, Da:

1.47

IP(EA), eV:

 -8.4(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@@H]6[C@H]7CC[C@@H](C7)[C@@H]6C5=O

DOS

IR

Vibrations