Geometry & MOs

Info

ID:	56456
PubChem CID:	17425507
Reduced:	O2N3S3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	412.091535
ΔH_f, kcal/mol:	26.89
Dipole, Da:	2.21
IP(EA), eV:	-9.09(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-quinolin-2-ylsulfanylethanone

Drug info:

PubChemData

Smile

C1CC1NC(=O)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations