Geometry & MOs

Info

ID:	52014
PubChem CID:	12014786
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	4.47
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-(hydroxymethyl)-2H-thiopyrano[3,2-c]quinolin-5-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C1=O)C(=CCS3)CO

DOS

IR

Vibrations