Geometry & MOs

Info

ID:

306551

PubChem CID:

125086611

Reduced:

FSN3O4C38H42 (1)

Stoich.:

ABC3D4E38F42 (1)

Weight, g/mol:

751.14823

ΔHf, kcal/mol:

-142.28

Dipole, Da:

9.62

IP(EA), eV:

 -8.68(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations