Geometry & MOs

Info

ID:	271777
PubChem CID:	103691315
Reduced:	ON2S3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	6.0
IP(EA), eV:	-8.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-5-yn-3-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CNC(=O)CC2=C(NC(=S)S2)C)C

DOS

IR

Vibrations