Geometry & MOs

Info

ID:	425206
PubChem CID:	135125521
Reduced:	NSF3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	4.29
IP(EA), eV:	-10.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

C=C1CC(C1)C2=NC(=CS2)C(F)(F)F

DOS

IR

Vibrations