Geometry & MOs

Info

ID:	371562
PubChem CID:	127347181
Reduced:	Cl2O2S2N4C13H14 (1)
Stoich.:	A2B2C2D4E13F14 (1)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	7.85
Dipole, Da:	4.84
IP(EA), eV:	-8.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=C(SC(=C2)Cl)Cl)C3=NN=CC=C3

DOS

IR

Vibrations