Geometry & MOs

Info

ID:	58205
PubChem CID:	24434777
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	233.076454
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	5.87
IP(EA), eV:	-8.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=CC=CC=N3)OC

DOS

IR

Vibrations