Geometry & MOs

Info

ID:

189190

PubChem CID:

77825742

Reduced:

O4N5C24H27 (1)

Stoich.:

A4B5C24D27 (1)

Weight, g/mol:

576.277027

ΔHf, kcal/mol:

-85.18

Dipole, Da:

3.56

IP(EA), eV:

 -9.44(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-3-hydroxy-4-[2-[3-(morpholin-4-ylmethyl)phenyl]pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)NC(=O)C(C)(C(C(=O)N2CC3=C(C2)N=CC=C3)O)O)N4C=CC=N4

DOS

IR

Vibrations