Geometry & MOs

Info

ID:	88792
PubChem CID:	49956840
Reduced:	FSN3O3H24C25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	545.04202
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	3.72
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations