Geometry & MOs

Info

ID:

306504

PubChem CID:

125084164

Reduced:

FSN3O4C31H38 (1)

Stoich.:

ABC3D4E31F38 (1)

Weight, g/mol:

657.18721

ΔHf, kcal/mol:

-192.06

Dipole, Da:

7.45

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)-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=C2F)[C@H](C)C(=O)NCC(C)C)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations