Geometry & MOs

Info

ID:

306505

PubChem CID:

125084166

Reduced:

BrSN3O5C32H40 (1)

Stoich.:

ABC3D5E32F40 (1)

Weight, g/mol:

703.20794

ΔHf, kcal/mol:

-169.49

Dipole, Da:

9.33

IP(EA), eV:

 -9.02(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-bromophenyl)methyl-[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)[C@@H](CC1=CC=CC=C1)N(CC2=CC(=CC=C2)Br)C(=O)CCCN(C3=CC=C(C=C3)OC)S(=O)(=O)C

DOS

IR

Vibrations