Geometry & MOs

Info

ID:

325904

PubChem CID:

126685494

Reduced:

SF2N4O4C31H42 (1)

Stoich.:

AB2C4D4E31F42 (1)

Weight, g/mol:

456.181585

ΔHf, kcal/mol:

-217.33

Dipole, Da:

7.57

IP(EA), eV:

 -9.05(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[(2S,3R)-2-amino-3-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C=CC(=C3)F)CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations