Geometry & MOs

Info

ID:

306545

PubChem CID:

125086591

Reduced:

BrSCl2N3O4C36H36 (1)

Stoich.:

ABC2D3E4F36G36 (1)

Weight, g/mol:

645.247284

ΔHf, kcal/mol:

-91.24

Dipole, Da:

6.51

IP(EA), eV:

 -9.28(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC(=CC=C3)Br)C(=O)CN(C4=C(C(=CC=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations