Geometry & MOs

Info

ID:	31252
PubChem CID:	855353
Reduced:	SO2N5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	3.14
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=NN=C2SCC(=O)N)C3=CC=NC=C3

DOS

IR

Vibrations