Geometry & MOs

Info

ID:	437710
PubChem CID:	135226875
Reduced:	BrNSC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	33.44
Dipole, Da:	3.25
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1SC2=CC(=C(C=C2)NC3CCC4(CC3)CC4)Br

DOS

IR

Vibrations