Geometry & MOs

Info

ID:	403746
PubChem CID:	135061649
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	324.068097
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	5.67
IP(EA), eV:	-8.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=NC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations