Geometry & MOs

Info

ID:	276016
PubChem CID:	103819978
Reduced:	NOSF4C12H15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-244.38
Dipole, Da:	5.5
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=C(C=C(C=C1)C(F)(F)F)F

DOS

IR

Vibrations