Geometry & MOs

Info

ID:

306578

PubChem CID:

125089122

Reduced:

ClFSN3O4C35H35 (1)

Stoich.:

ABCD3E4F35G35 (1)

Weight, g/mol:

581.235971

ΔHf, kcal/mol:

-137.15

Dipole, Da:

3.12

IP(EA), eV:

 -8.98(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CN(C4=CC(=C(C=C4)F)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations