Geometry & MOs

Info

ID:	143092
PubChem CID:	53144876
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	5.66
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCN1C=C(C2=C1N=CC=C2)CCNS(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

DOS

IR

Vibrations