Geometry & MOs

Info

ID:	301896
PubChem CID:	123099470
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	8.1
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinylpropanoate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CS(=O)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations