Geometry & MOs

Info

ID:

306559

PubChem CID:

125087062

Reduced:

SN3O6C33H39 (1)

Stoich.:

AB3C6D33E39 (1)

Weight, g/mol:

607.271607

ΔHf, kcal/mol:

-194.83

Dipole, Da:

7.58

IP(EA), eV:

 -8.6(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CN(C4=CC5=C(C=C4)OCO5)S(=O)(=O)C

DOS

IR

Vibrations