Geometry & MOs

Info

ID:	121152
PubChem CID:	50757511
Reduced:	FO3N5H18C24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	477.97535
ΔH_f, kcal/mol:	-1.77
Dipole, Da:	5.2
IP(EA), eV:	-9.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N=C4N3NN=C4C5=CC=CC=C5F

DOS

IR

Vibrations