Geometry & MOs

Info

ID:	73680
PubChem CID:	48419994
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	2.56
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2-(4-nitrophenyl)sulfinylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)F)N2CCC3=CC=CC=C32

DOS

IR

Vibrations