Geometry & MOs

Info

ID:

44726

PubChem CID:

10505584

Reduced:

NO9C26H31 (1)

Stoich.:

AB9C26D31 (1)

Weight, g/mol:

501.320271

ΔHf, kcal/mol:

-320.0

Dipole, Da:

4.03

IP(EA), eV:

 -9.59(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(2S)-2-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC[C@@H]([C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](C(=O)OC)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations