Geometry & MOs

Info

ID:

306636

PubChem CID:

125093172

Reduced:

SCl2N3O4C32H39 (1)

Stoich.:

AB2C3D4E32F39 (1)

Weight, g/mol:

631.203833

ΔHf, kcal/mol:

-155.61

Dipole, Da:

3.34

IP(EA), eV:

 -9.16(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@@H](CC)C(=O)N[C@H](C)CC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations