Geometry & MOs

Info

ID:	16399
PubChem CID:	466872
Reduced:	ClOSN2H13C21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	376.043712
ΔH_f, kcal/mol:	70.86
Dipole, Da:	3.42
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-chlorophenyl) 3-cyano-3H-benzo[f]quinoline-4-carbothioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(N3C(=O)SC4=CC=C(C=C4)Cl)C#N

DOS

IR

Vibrations