Geometry & MOs

Info

ID:	36668
PubChem CID:	8010585
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	367.081305
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	2.86
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(4,8-dimethylquinolin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)OC[C@@H]4CCCO4

DOS

IR

Vibrations