Geometry & MOs

Info

ID:

306491

PubChem CID:

125083748

Reduced:

SN2O3C26H28 (1)

Stoich.:

AB2C3D26E28 (1)

Weight, g/mol:

665.155169

ΔHf, kcal/mol:

-71.62

Dipole, Da:

5.94

IP(EA), eV:

 -8.81(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N[C@H](C)C2=CC3=C(CCC3)C=C2)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations