Geometry & MOs

Info

ID:	167381
PubChem CID:	74818212
Reduced:	SF2O3N7C28H29 (1)
Stoich.:	AB2C3D7E28F29 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-127.72
Dipole, Da:	2.84
IP(EA), eV:	-8.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-2,4-dihydro-1H-thiopyrano[3,4-c]quinolin-9-ylidene)-3-piperidin-1-ylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CN2C(=O)NC(N(C2=O)CC3=CC=C(C=C3)OC(F)F)NCCN4C5=CC=CC=C5N=C4N

DOS

IR

Vibrations