Geometry & MOs

Info

ID:	143672
PubChem CID:	53246372
Reduced:	O2N3H23C27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	531.219178
ΔH_f, kcal/mol:	49.26
Dipole, Da:	2.95
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C3CC(COC3=CN=C2C=C1)N4C=C(C=N4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations