Geometry & MOs

Info

ID:

306502

PubChem CID:

125083982

Reduced:

FSN3O4C38H42 (1)

Stoich.:

ABC3D4E38F42 (1)

Weight, g/mol:

647.12202

ΔHf, kcal/mol:

-159.09

Dipole, Da:

6.43

IP(EA), eV:

 -8.89(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)C5=CC=CC(=C5)C

DOS

IR

Vibrations