Geometry & MOs

Info

ID:

306542

PubChem CID:

125086463

Reduced:

ClFSN3O4C37H39 (1)

Stoich.:

ABCD3E4F37G39 (1)

Weight, g/mol:

613.10128

ΔHf, kcal/mol:

-158.36

Dipole, Da:

5.37

IP(EA), eV:

 -9.13(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations