Geometry & MOs

Info

ID:

336623

PubChem CID:

127255630

Reduced:

NaSN2O5C20H23 (1)

Stoich.:

ABC2D5E20F23 (1)

Weight, g/mol:

669.336019

ΔHf, kcal/mol:

-209.84

Dipole, Da:

5.85

IP(EA), eV:

 -8.44(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)[O-].[Na+]

DOS

IR

Vibrations