Geometry & MOs

Info

ID:

306535

PubChem CID:

125086001

Reduced:

FSN3O6C32H38 (1)

Stoich.:

ABC3D6E32F38 (1)

Weight, g/mol:

681.163111

ΔHf, kcal/mol:

-242.13

Dipole, Da:

7.2

IP(EA), eV:

 -8.84(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](C)C(=O)NC3CCCC3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations