Geometry & MOs

Info

ID:

306615

PubChem CID:

125092564

Reduced:

ClFSN3O5C32H37 (1)

Stoich.:

ABCD3E5F32G37 (1)

Weight, g/mol:

613.23772

ΔHf, kcal/mol:

-226.79

Dipole, Da:

5.97

IP(EA), eV:

 -9.06(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]-(2-phenylethyl)amino]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NC3CCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations