Geometry & MOs

Info

ID:	67813
PubChem CID:	46507223
Reduced:	O2S2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	340.051778
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	2.83
IP(EA), eV:	-8.81(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxy-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)NC2=S

DOS

IR

Vibrations