Geometry & MOs

Info

ID:	445299
PubChem CID:	135265977
Reduced:	SN3O5F6C25H27 (1)
Stoich.:	AB3C5D6E25F27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-477.99
Dipole, Da:	3.44
IP(EA), eV:	-9.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(1,3-dihydroxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN1C(=O)C2=C(SC(=N2)C(NCC3(CC3)C(=O)O)O)C4=C(C=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O)C

DOS

IR

Vibrations