Geometry & MOs

Info

ID:	162768
PubChem CID:	57567224
Reduced:	OS3C34H66 (1)
Stoich.:	AB3C34D66 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-157.85
Dipole, Da:	3.42
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)C(C)(C)SC(=S)SCCCCCCCCCCCC

DOS

IR

Vibrations