Geometry & MOs

Info

ID:

306493

PubChem CID:

125083851

Reduced:

SCl2N3O4C35H35 (1)

Stoich.:

AB2C3D4E35F35 (1)

Weight, g/mol:

671.16647

ΔHf, kcal/mol:

-92.74

Dipole, Da:

4.39

IP(EA), eV:

 -9.41(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3Cl)C(=O)CN(C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations