Geometry & MOs

Info

ID:	143673
PubChem CID:	53246373
Reduced:	SN3O4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	588.229408
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	6.55
IP(EA), eV:	-8.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[9-[2-(1,3-dioxan-2-yl)ethoxy]-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl]cyclohexanecarbonyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(CCC1C2CC3=C4C=C(C=CC4=NC=C3OC2)OCCCN)C(=O)C5=CC6=C(C=C5)SCC(=O)N6

DOS

IR

Vibrations