Geometry & MOs

Info

ID:	79402
PubChem CID:	49748473
Reduced:	FS2N3O6C26H26 (1)
Stoich.:	AB2C3D6E26F26 (1)
Weight, g/mol:	571.05767
ΔH_f, kcal/mol:	-216.34
Dipole, Da:	7.06
IP(EA), eV:	-8.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations