Geometry & MOs

Info

ID:	357780
PubChem CID:	127294567
Reduced:	S2N3O4C15H27 (1)
Stoich.:	A2B3C4D15E27 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-199.79
Dipole, Da:	6.43
IP(EA), eV:	-8.5(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-2-yl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations