Geometry & MOs

Info

ID:	52012
PubChem CID:	12014784
Reduced:	NOSH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	53.0
Dipole, Da:	3.35
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2H-thiopyrano[3,2-c]quinolin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations