Geometry & MOs

Info

ID:

306508

PubChem CID:

125084173

Reduced:

FSN4O4C31H39 (1)

Stoich.:

ABC4D4E31F39 (1)

Weight, g/mol:

597.242806

ΔHf, kcal/mol:

-160.09

Dipole, Da:

6.45

IP(EA), eV:

 -9.32(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](CC2=CC=CC=C2)C(=O)NCC(C)C)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)N(C)C

DOS

IR

Vibrations