Geometry & MOs

Info

ID:

306506

PubChem CID:

125084167

Reduced:

BrSN3O4C37H42 (1)

Stoich.:

ABC3D4E37F42 (1)

Weight, g/mol:

577.297428

ΔHf, kcal/mol:

-107.39

Dipole, Da:

8.45

IP(EA), eV:

 -8.95(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]-N-[(2R)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC(=CC=C2)Br)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=CC=CC(=C4C)C

DOS

IR

Vibrations