Geometry & MOs

Info

ID:

16551

PubChem CID:

472517

Reduced:

FSN3O6C26H34 (1)

Stoich.:

ABC3D6E26F34 (1)

Weight, g/mol:

535.215235

ΔHf, kcal/mol:

-267.33

Dipole, Da:

4.05

IP(EA), eV:

 -9.41(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl N-[(2S,3R)-4-[(3-acetamido-4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC=C)O)S(=O)(=O)C2=CC(=C(C=C2)F)NC(=O)C

DOS

IR

Vibrations