Geometry & MOs

Info

ID:	154601
PubChem CID:	56314071
Reduced:	BrFO3N4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	476.0484
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	6.87
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations