Geometry & MOs

Info

ID:	28956
PubChem CID:	830857
Reduced:	S2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	349.062878
ΔH_f, kcal/mol:	75.65
Dipole, Da:	2.19
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)SC(=N2)CCCC3=NC4=C(S3)C=C(C=C4)N

DOS

IR

Vibrations