Geometry & MOs

Info

ID:	416076
PubChem CID:	135089084
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	2.24
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-methylsulfanyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CCSCC(=O)N2CCC(CC2)OC3=CN=CC=C3

DOS

IR

Vibrations