Geometry & MOs

Info

ID:

144285

PubChem CID:

53344723

Reduced:

O3N5C28H39 (1)

Stoich.:

A3B5C28D39 (1)

Weight, g/mol:

614.24531

ΔHf, kcal/mol:

-84.92

Dipole, Da:

9.05

IP(EA), eV:

 -8.31(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[[[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-methylcarbamoyl]amino]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1NC2=CC(=O)NC3=C2C=CC(=C3OCCCCCCN4CCN(CC4)C)OC)C

DOS

IR

Vibrations