Geometry & MOs

Info

ID:

144286

PubChem CID:

53344870

Reduced:

F2O4N6H32C33 (1)

Stoich.:

A2B4C6D32E33 (1)

Weight, g/mol:

669.287509

ΔHf, kcal/mol:

-154.74

Dipole, Da:

8.2

IP(EA), eV:

 -8.74(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6aS)-N-[4-[2-fluoro-4-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]phenoxy]pyridin-2-yl]-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CC(C[C@H]2C1)N(C)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)NC(=O)C5=CC=CN(C5=O)C6=CC=C(C=C6)F)F

DOS

IR

Vibrations