Geometry & MOs

Info

ID:

306611

PubChem CID:

125092446

Reduced:

SN3O5C38H45 (1)

Stoich.:

AB3C5D38E45 (1)

Weight, g/mol:

563.245392

ΔHf, kcal/mol:

-147.75

Dipole, Da:

9.19

IP(EA), eV:

 -8.72(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@@H](CC1=CC=CC=C1)N(CC2=CC=CC(=C2)C)C(=O)CN(C3=CC=CC=C3OCC)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations