Geometry & MOs

Info

ID:	437725
PubChem CID:	135226953
Reduced:	BrFNSH7C10 (1)
Stoich.:	ABCDE7F10 (1)
Weight, g/mol:	457.127169
ΔH_f, kcal/mol:	29.99
Dipole, Da:	4.51
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-[(ethyl-methyl-oxo-lambda6-sulfanylidene)amino]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1CC1(C#N)SC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations