Geometry & MOs

Info

ID:	226205
PubChem CID:	87350031
Reduced:	NSO3C24H45 (1)
Stoich.:	ABC3D24E45 (1)
Weight, g/mol:	457.170274
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	4.38
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoroethylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C.CN(C)C

DOS

IR

Vibrations