Geometry & MOs

Info

ID:	79222
PubChem CID:	49747528
Reduced:	FN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	504.184269
ΔH_f, kcal/mol:	-181.68
Dipole, Da:	4.83
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4

DOS

IR

Vibrations