Geometry & MOs

Info

ID:	143852
PubChem CID:	53269533
Reduced:	NSCl2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	270.055991
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	4.29
IP(EA), eV:	-9.6(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)Cl)Cl

DOS

IR

Vibrations