Geometry & MOs

Info

ID:

80793

PubChem CID:

49836727

Reduced:

FSN3O7C31H36 (1)

Stoich.:

ABC3D7E31F36 (1)

Weight, g/mol:

627.205064

ΔHf, kcal/mol:

-284.24

Dipole, Da:

7.05

IP(EA), eV:

 -9.38(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CN(C(=O)O2)C3=CC=C(C=C3)F)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations