Geometry & MOs

Info

ID:

306548

PubChem CID:

125086594

Reduced:

SCl2N3O5C33H41 (1)

Stoich.:

AB2C3D5E33F41 (1)

Weight, g/mol:

657.267271

ΔHf, kcal/mol:

-197.27

Dipole, Da:

8.44

IP(EA), eV:

 -9.12(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N(CCCC(=O)N(CC2=C(C=CC=C2Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC(C)(C)C)S(=O)(=O)C

DOS

IR

Vibrations