Geometry & MOs

Info

ID:

306606

PubChem CID:

125092312

Reduced:

FSN3O4C33H44 (1)

Stoich.:

ABC3D4E33F44 (1)

Weight, g/mol:

585.20642

ΔHf, kcal/mol:

-226.27

Dipole, Da:

6.09

IP(EA), eV:

 -8.79(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

DOS

IR

Vibrations