Geometry & MOs

Info

ID:

304651

PubChem CID:

124766019

Reduced:

FN4O4C27H27 (1)

Stoich.:

AB4C4D27E27 (1)

Weight, g/mol:

490.201634

ΔHf, kcal/mol:

-123.87

Dipole, Da:

7.75

IP(EA), eV:

 -9.14(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S,6S,7R)-2-N-cyclohexyl-6-N-(2-fluorophenyl)-4-oxo-3-pyridin-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H]2[C@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2C5=CN=CC=C5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations