Geometry & MOs

Info

ID:

432224

PubChem CID:

135172356

Reduced:

SN4O4C30H44 (1)

Stoich.:

AB4C4D30E44 (1)

Weight, g/mol:

487.225326

ΔHf, kcal/mol:

-192.35

Dipole, Da:

2.02

IP(EA), eV:

 -9.2(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)CC(C)C)O

DOS

IR

Vibrations