Geometry & MOs

Info

ID:

306564

PubChem CID:

125087488

Reduced:

ClSN3O4C31H38 (1)

Stoich.:

ABC3D4E31F38 (1)

Weight, g/mol:

543.136148

ΔHf, kcal/mol:

-144.82

Dipole, Da:

3.37

IP(EA), eV:

 -8.97(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations