Geometry & MOs

Info

ID:	180125
PubChem CID:	76582593
Reduced:	BrSN2F3O3H16C22 (1)
Stoich.:	ABC2D3E3F16G22 (1)
Weight, g/mol:	237.078979
ΔH_f, kcal/mol:	-179.22
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylidenepyrano[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)Br)C(=O)OC

DOS

IR

Vibrations