Geometry & MOs

Info

ID:	291492
PubChem CID:	112831847
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	498.00713
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	4.83
IP(EA), eV:	-9.24(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromobenzoyl)amino]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC(C)C)C(=O)NC(C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations