Geometry & MOs

Info

ID:	437767
PubChem CID:	135226996
Reduced:	BrSF2N2O2C16H17 (1)
Stoich.:	ABC2D2E2F16G17 (1)
Weight, g/mol:	469.127169
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	3.05
IP(EA), eV:	-9.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylsulfonimidoyl)-2-(2,4-difluorophenoxy)phenyl]-2,6-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1CC(CCC1OC2=C(C=C(C=C2)S(=N)(=O)C3(CC3)C#N)Br)(F)F

DOS

IR

Vibrations