Geometry & MOs

Info

ID:

306554

PubChem CID:

125086901

Reduced:

ClSN3O4C32H38 (1)

Stoich.:

ABC3D4E32F38 (1)

Weight, g/mol:

641.272356

ΔHf, kcal/mol:

-136.57

Dipole, Da:

10.76

IP(EA), eV:

 -8.96(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations