Geometry & MOs

Info

ID:

90037

PubChem CID:

49965898

Reduced:

NO3C28H35 (1)

Stoich.:

AB3C28D35 (1)

Weight, g/mol:

487.066589

ΔHf, kcal/mol:

-81.28

Dipole, Da:

6.13

IP(EA), eV:

 -8.75(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8E)-6-acetyl-2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(N1C/C(=C\C2=CC=C(C=C2)OC(C)C)/C(=O)/C(=C/C3=CC=C(C=C3)OC(C)C)/C1)C

DOS

IR

Vibrations