Geometry & MOs

Info

ID:	180047
PubChem CID:	76570187
Reduced:	ClSN3O3H26C27 (1)
Stoich.:	ABC3D3E26F27 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	2.65
IP(EA), eV:	-7.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(diethylamino)ethylamino]-4aH-quinolin-2-ylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CC(=C3C4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC6=CC=CC=C65)NC3=O)N2)Cl

DOS

IR

Vibrations