Geometry & MOs

Info

ID:

306484

PubChem CID:

125082374

Reduced:

BrFSN3O4C31H35 (1)

Stoich.:

ABCD3E4F31G35 (1)

Weight, g/mol:

641.273499

ΔHf, kcal/mol:

-169.73

Dipole, Da:

1.14

IP(EA), eV:

 -9.26(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)N(CC1=CC=C(C=C1)F)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations