Geometry & MOs

Info

ID:	37874
PubChem CID:	8025268
Reduced:	S2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	4.68
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations