Geometry & MOs

Info

ID:

47339

PubChem CID:

10531666

Reduced:

ClSO2N5C33H36 (1)

Stoich.:

ABC2D5E33F36 (1)

Weight, g/mol:

601.211027

ΔHf, kcal/mol:

-3.63

Dipole, Da:

8.17

IP(EA), eV:

 -8.26(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]-methylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)N(C)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=S)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations