Geometry & MOs

Info

ID:	88825
PubChem CID:	49957030
Reduced:	BrSN3O3C27H34 (1)
Stoich.:	ABC3D3E27F34 (1)
Weight, g/mol:	529.0471
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	4.64
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations