Geometry & MOs

Info

ID:

187481

PubChem CID:

77579042

Reduced:

SN3O3C21H29 (1)

Stoich.:

AB3C3D21E29 (1)

Weight, g/mol:

656.239476

ΔHf, kcal/mol:

-92.52

Dipole, Da:

5.25

IP(EA), eV:

 -8.57(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)pyridin-4-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1CCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations