Geometry & MOs

Info

ID:	153352
PubChem CID:	56312538
Reduced:	BrO2S2N4H13C20 (1)
Stoich.:	AB2C2D4E13F20 (1)
Weight, g/mol:	492.92598
ΔH_f, kcal/mol:	56.94
Dipole, Da:	9.89
IP(EA), eV:	-9.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)C3=CSC=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations