Geometry & MOs

Info

ID:

304342

PubChem CID:

124546069

Reduced:

BrClSO4N5C21H21 (1)

Stoich.:

ABCD4E5F21G21 (1)

Weight, g/mol:

546.287592

ΔHf, kcal/mol:

-83.11

Dipole, Da:

7.68

IP(EA), eV:

 -9.1(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[4-[(2R)-2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carbonyl]piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)[C@@H](CO)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations