Geometry & MOs

Info

ID:

80736

PubChem CID:

49836622

Reduced:

OF3N3H14C21 (1)

Stoich.:

AB3C3D14E21 (1)

Weight, g/mol:

598.226134

ΔHf, kcal/mol:

-99.94

Dipole, Da:

2.81

IP(EA), eV:

 -8.92(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)C(F)(F)F

DOS

IR

Vibrations