Geometry & MOs

Info

ID:

306481

PubChem CID:

125082295

Reduced:

SCl2N4O6C31H34 (1)

Stoich.:

AB2C4D6E31F34 (1)

Weight, g/mol:

553.201335

ΔHf, kcal/mol:

-143.59

Dipole, Da:

2.36

IP(EA), eV:

 -9.35(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)N(CC1=C(C=CC=C1Cl)Cl)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations