Geometry & MOs

Info

ID:	342444
PubChem CID:	127265599
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	2.98
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-quinolin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C=CC(=O)N[C@H]2C[C@H](C=C2)CO

DOS

IR

Vibrations