Geometry & MOs

Info

ID:

433468

PubChem CID:

135173605

Reduced:

SN4O4C31H38 (1)

Stoich.:

AB4C4D31E38 (1)

Weight, g/mol:

468.183127

ΔHf, kcal/mol:

-130.64

Dipole, Da:

4.12

IP(EA), eV:

 -9.09(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(N=CS2)C)C(C)NC(C3CC(CN3C(=O)C(C(C)C)N4CC5=CC=CC=C5C4=O)O)O

DOS

IR

Vibrations