Geometry & MOs

Info

ID:

444808

PubChem CID:

135263625

Reduced:

BrSN4O7H39C42 (1)

Stoich.:

ABC4D7E39F42 (1)

Weight, g/mol:

466.18054

ΔHf, kcal/mol:

-168.92

Dipole, Da:

10.23

IP(EA), eV:

 -8.57(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCCOC5=CC=C(C=C5)OC6=C(SC7=C6C=CC(=C7)O)C8=CC=C(C=C8)Br

DOS

IR

Vibrations