Geometry & MOs

Info

ID:

314069

PubChem CID:

126620274

Reduced:

SO3N4C31H38 (1)

Stoich.:

AB3C4D31E38 (1)

Weight, g/mol:

605.09576

ΔHf, kcal/mol:

-83.11

Dipole, Da:

3.12

IP(EA), eV:

 -9.05(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-cyclobutyl-2-(4-iodopyrazol-1-yl)acetyl]-4-hydroxy-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)NCC3CC(CN3C(=O)C(C(C)C)N4CC5=CC=CC=C5C4=O)O

DOS

IR

Vibrations