Geometry & MOs

Info

ID:	52016
PubChem CID:	12014788
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	257.087435
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.36
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-methyl-2H-thiopyrano[3,2-c]quinolin-5-one

Drug info:

PubChemData

Smile

CC1=CCSC2=C1C(=O)N(C3=CC=CC=C32)C

DOS

IR

Vibrations