Geometry & MOs

Info

ID:	426529
PubChem CID:	135144994
Reduced:	SN5O6C23H25 (1)
Stoich.:	AB5C6D23E25 (1)
Weight, g/mol:	475.135448
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	8.68
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-4-phenylquinoline

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CC=NC3=O)N(N2)C4(CCC(OC4)C(=O)O)CC#N

DOS

IR

Vibrations