Geometry & MOs

Info

ID:	88826
PubChem CID:	49957031
Reduced:	BrFSN3O3H21C24 (1)
Stoich.:	ABCD3E3F21G24 (1)
Weight, g/mol:	543.06275
ΔH_f, kcal/mol:	-90.04
Dipole, Da:	10.4
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-butoxy-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)Br

DOS

IR

Vibrations