Geometry & MOs

Info

ID:	437758
PubChem CID:	135226987
Reduced:	BrFSH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	453.132254
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	4.73
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations