Geometry & MOs

Info

ID:

306642

PubChem CID:

125093247

Reduced:

BrSN3O6C33H38 (1)

Stoich.:

ABC3D6E33F38 (1)

Weight, g/mol:

675.233384

ΔHf, kcal/mol:

-191.86

Dipole, Da:

3.82

IP(EA), eV:

 -8.58(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)N(CC1=CC=C(C=C1)Br)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations