Geometry & MOs

Info

ID:

306571

PubChem CID:

125089070

Reduced:

ClSN3O5C35H38 (1)

Stoich.:

ABC3D5E35F38 (1)

Weight, g/mol:

659.22207

ΔHf, kcal/mol:

-129.81

Dipole, Da:

6.72

IP(EA), eV:

 -8.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]amino]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=CC=C(C=C1)Cl)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations