Geometry & MOs

Info

ID:	404937
PubChem CID:	135071831
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	320.038627
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	5.15
IP(EA), eV:	-8.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)/N=C/CCCCC(=O)C1=CC=CC=C1

DOS

IR

Vibrations