Geometry & MOs

Info

ID:	429419
PubChem CID:	135169467
Reduced:	SO4N8C27H34 (1)
Stoich.:	AB4C8D27E34 (1)
Weight, g/mol:	410.85379
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	4.08
IP(EA), eV:	-9.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetamido-3-bromopyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations