Geometry & MOs

Info

ID:	88836
PubChem CID:	49957209
Reduced:	SCl2N2O2H24C26 (1)
Stoich.:	AB2C2D2E24F26 (1)
Weight, g/mol:	551.08783
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	7.21
IP(EA), eV:	-8.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-phenylethoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=C(C=C(C=C5)Cl)Cl)C

DOS

IR

Vibrations