Geometry & MOs

Info

ID:

306496

PubChem CID:

125083881

Reduced:

ClSN3O5C33H40 (1)

Stoich.:

ABC3D5E33F40 (1)

Weight, g/mol:

641.272356

ΔHf, kcal/mol:

-181.49

Dipole, Da:

5.87

IP(EA), eV:

 -8.83(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N(CCCC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C

DOS

IR

Vibrations