Geometry & MOs

Info

ID:	437692
PubChem CID:	135226857
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	397.85854
ΔH_f, kcal/mol:	-23.64
Dipole, Da:	3.71
IP(EA), eV:	-8.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)OCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations