Geometry & MOs

Info

ID:	88827
PubChem CID:	49957033
Reduced:	BrFSN3O3H23C25 (1)
Stoich.:	ABCD3E3F23G25 (1)
Weight, g/mol:	571.09405
ΔH_f, kcal/mol:	-97.95
Dipole, Da:	10.3
IP(EA), eV:	-8.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide

Drug info:

PubChemData

Smile

CCCCOC1=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