Geometry & MOs

Info

ID:

306600

PubChem CID:

125092052

Reduced:

SN3O4C36H41 (1)

Stoich.:

AB3C4D36E41 (1)

Weight, g/mol:

573.186434

ΔHf, kcal/mol:

-99.51

Dipole, Da:

7.94

IP(EA), eV:

 -8.52(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)NC(C)(C)C)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations