Geometry & MOs

Info

ID:

379688

PubChem CID:

134457185

Reduced:

FN4O4C30H33 (1)

Stoich.:

AB4C4D30E33 (1)

Weight, g/mol:

461.17329

ΔHf, kcal/mol:

-117.2

Dipole, Da:

10.04

IP(EA), eV:

 -8.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]phenyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCC(=O)N4C5=CC(=C(C=C5)OC)F)C6CCC(CC6)(C)O

DOS

IR

Vibrations